Papers using EPW¶
The figure shows the total number of citations per year to the three EPW technical papers (Google Scholar, July 2026):
H. Lee, S. Poncé, K. Bushick, S. Hajinazar, J. Lafuente-Bartolome, J. Leveillee, C. Lian, J.-M. Lihm, F. Macheda, H. Mori, H. Paudyal, W. H. Sio, S. Tiwari, M. Zacharias, X. Zhang, N. Bonini, E. Kioupakis, E. R. Margine, and F. Giustino
Electron-phonon physics from first principles using the EPW code
Poncé, E. R. Margine, C. Verdi, and F. Giustino
EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions
J. Noffsinger, F. Giustino, B. D. Malone, C.-H. Park, S. G. Louie, and M. L. Cohen
EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions
Papers using or mentioning EPW (from https://www.semanticscholar.org, July 2026):
1496 |
ZrB2: a systematic study of the effect of the high pressure on the structural, electronic, mechanical, vibrational, and optical properties |
1495 |
Victor Garcia-Herrero et al. Watching Polarons Form in Real Time |
1494 |
Masayuki Ochi, H. Mori, Akitoshi Nakano Valley-dependent electron-phonon scattering in thermoelectric semimetal Ta 2 |
1493 |
Hongjing Xu et al. Vacuum-dressed superconductivity in NbN observed in a high-Q terahertz cavity |
1492 |
Hasan A Masri, M. Abu-Jafar, S. Essaoud Unveiling the Exceptional Half‐Metallic, Optoelectronic, and Thermoelectric Properties of FeMnScGa: A DFT Study |
1491 |
Unveiling Pressure-Induced Superconductivity in Radium Hydrides: A First-Principles Approach |
1490 |
Xianyong Ding et al. Unusually high phonon thermal conductivity in the Weyl semimetal TaP: A comparative study with TaAs |
1489 |
Understanding electron-phonon interaction in solution-processed photovoltaic materials |
1488 |
Alejandro Simon et al. Ultrafast dynamics and light-induced superconductivity from first principles |
1487 |
Farhan Noor, Md Tareq Mahmud, A. Kabir Ultra-incompressibility meets superconductivity: effects of pressure and spin–orbit coupling in hard Nb2CN |
1486 |
Seungmin Lee et al. Tuning the electrical properties of unintentionally doped epitaxial p -type α-SnO thin films while maintaining a shallow hole ionization energy |
1485 |
Le Nhat Thanh et al. Tunable thermal transport in hole-doped monolayer penta-graphene: A first-principles and machine-learning study |
1484 |
Tunable Superconductivity in Functionalized Janus MoSeA (A = H, Li) Monolayers: Competition between Lattice Instability and Electron Pairing |
1483 |
Benjamin Geisler et al. Towards the discovery of high critical magnetic field superconductors |
1482 |
Xuqiang Liu et al. The record-high robust superconducting temperature of 32 K in α-MoB2 under high pressure |
1481 |
Ridwan Hussein et al. Temperature dependence of electronic conductivity from ab initio thermal simulation |
1480 |
Kaifa Luo, Jon Lafuente-Bartolome, F. Giustino Symmetry-protected topological polarons Proceedings of the National Academy of Sciences of the United States of America (2026) |
1479 |
Yan Yu et al. Symmetry-driven mobility enhancement in wide-gap III-nitrides via suppression of piezoelectric scattering in the haeckelite phase |
1478 |
Strong-coupling anisotropic superconductivity in hexagonal HfRuAs from anisotropic Migdal-Eliashberg theory |
1477 |
Strong Electron-Phonon Coupling and Multiband Superconductivity in Hexagonal BP3 Monolayer |
1476 |
Xin Ma et al. Strain-tunable carrier transport in highly polar two-dimensional (2D) SnC |
1475 |
Tian Yan et al. Strain-triggered high-temperature superconducting transition in two-dimensional carbon allotrope |
1474 |
Xiaomei Zhang et al. Strain engineering for significantly enhanced electron transport in monolayer arsenene |
1473 |
Qianjin Lei et al. Strain and temperature effects on ultraviolet optical absorption behavior of 4H-SiC crystals |
1472 |
Xu Zhang, Hua Liu, Hailong Yao Simulation and Modeling Methods for Two-Dimensional Field-Effect Transistors China Semiconductor Technology International Conference (2026) |
1471 |
Jinbin Li et al. Sensing coherent phonon dynamics in solids with delayed even harmonics |
1470 |
Aarushi Vatsa et al. Revisiting Ultra-High Thermoelectric Performance in Penta-Bi2X (X = Ge, Sn) Monolayers: Impact of Incorporating Fröhlich and Intervalley Scattering |
1469 |
Reiley Dorrian et al. Relativistic effects in LaBi 2 |
1468 |
Qianhui Lou et al. Recent advances and challenges in thermoelectrics toward near-room-temperature and high-temperature applications |
1467 |
Quasiparticle GW for Superconductors: Toward a Unified Treatment of Electron-Phonon and Electron-Plasmon Couplings |
1466 |
Jianhang Xu, Aaron M. Schankler, Yosuke Kanai Proton quantum effects in the electronic structure of H 3 |
1465 |
Li-Na Wu et al. Pressure stability of superconductivity in Nb3Al: Role of low-frequency Nb–Nb chain vibrations and electron–phonon interplay |
1464 |
Haowei Xu et al. Prediction of ambient-pressure high-temperature superconductivity in electronically modified transition-metal hydrides |
1463 |
Baoning Cui et al. Predicted superconductivity and underlying mechanism at alkali-metal/graphyne 2D interface |
1462 |
Polaron formation in ferroelectric PbTiO3: an ab initio theoretical study |
1461 |
Plasmonic polaron in self-intercalated 1T-TiS2 |
1460 |
Xinyang Zheng et al. Photoexcited Ultrafast Order–Disorder Dynamics in Monolayer SnSe: Dominant Role of Anharmonic Phonon Modes |
1459 |
Phonon-induced pseudogap phase in TiSe₂ |
1458 |
Yu-Guo Gu et al. Optimal coloring and strain-enhanced superconductivity in LinBn+1Cn−1 |
1457 |
Subhajit Pramanick et al. Observation of intertwined charge density wave order and superconductivity in Janus monolayer |
1456 |
Aarti et al. Nonunitary triplet superconductivity in the Z2 topological metal SrPd2As2 |
1455 |
Christoph Emeis, Fabio Caruso Nonlinear electron-phonon coupling drives light-induced symmetry switching in charge-density waves |
1454 |
Moiré-induced symmetry breaking of charge order in van der Waals heterostructures |
1453 |
Suixuan Li et al. Metallic θ-phase tantalum nitride has a thermal conductivity triple that of copper |
1452 |
Qiwei Shangguan et al. Metal-metal bond-induced conduction band reshaping drives performance degradation in short-channel amorphous In-Ga-Zn-O thin-film transistors |
1451 |
Jiawei Zhou, Gang Chen Material insights on electronic transport of charge and heat from first principles |
1450 |
Omid Nourmofidi et al. Linking critical temperature with electron localization for cavity-enhanced superconductivity |
1449 |
Large terahertz photovoltaic effect enhanced by phonon excitations in ferroelectric semiconductor SbSI |
1448 |
Anoir Hamdi et al. Large Unsaturated Magnetoresistance in Gated MoS2 Flakes |
1447 |
Yongbo Shi et al. Investigation of the transport behavior of BP and BAs using the Boltzmann transport equation and machine learning methods |
1446 |
Wencheng Lu et al. Inverse Isotope Effect in the Ternary Perovskite Hydride SrPdH/D2.9: A Signature of Quantum Zero-Point Fluctuations |
1445 |
Yé-Jin L. Lee et al. Intrinsic Thermal Transport Properties of ZrB 2 From Room Temperature to Melting Point |
1444 |
Yan Yu et al. Interlayer-induced low-frequency optical phonons as the dominant limiting mechanism of carrier mobility in h-BN and graphene systems |
1443 |
Wenping Chen, Ziyun Zhang, Feipeng Zheng Interlayer-coupling-driven stabilization and superconductivity in bilayer CoTe₂ |
1442 |
Huge ultrafast spin Seebeck effect mediated by laser-excited superdiffusive magnon currents |
1441 |
Te-Huan Liu et al. Higher-order lattice anharmonicity reshaping non-equilibrium carrier dynamics in wide-phonon-gap semiconductors |
1440 |
High-throughput study of electrical conductivity in ordered metals |
1439 |
Ijaz Shahid et al. High-pressure phase stability and superconductivity in La-Zr-H hydrides |
1438 |
Jie-Cheng Chen et al. High hole mobility in AlN from negative crystal-field splitting |
1437 |
Haonan Huang Grounded autonomous scrutiny at scale: emergent critique from reproduction of published computational physics papers |
1436 |
Ransell D’Souza, I. Savić Generalized deformation potential and machine-learning approaches for electron-phonon coupling and thermoelectric transport in semiconductors |
1435 |
Pan Min et al. First-principles study on the high-Tc superconductivity of Mg-Ti-H ternary hydrides up to the liquid-nitrogen temperature range under high pressures |
1434 |
Dallin O. Nielsen et al. First-Principles Study of Radiation-Induced Electron-Hole Pair Generation and Transport in GaN and Al0.25Ga0.75N/GaN HEMTs |
1433 |
Haipeng Lan et al. First-Principles Modeling of Quantum Effects From Defects in 4H-SiC MOSFETs |
1432 |
Yandong Yang First-Principles Investigation of Superconductivity in Dy-Intercalated Bilayer Graphene Under High Pressure |
1431 |
First-Principles Investigation of Electron–Phonon Coupling and Intrinsic Two-Gap Superconductivity in Hexagonal BAs3 Monolayer |
1430 |
Jeevan Kumar Sahoo, Jagadish Kumar First-Principles Calculations and SCAPS-1D Simulations of Lead-Free Double Perovskites Rb 2 AgBiX 6 (X = Br, I) for Solar Cell Applications |
1429 |
First-Principles Approach to Electron-Vibration Interaction in Molecules from an Atomic Orbital Basis: The Allen-Heine-Cardona Theory and Beyond |
1428 |
Alejandro Simon et al. Fast real-axis Eliashberg calculations: Full-bandwidth solutions beyond the constant density of states approximation |
1427 |
Exploring vibrational properties, Rashba spin splitting, and phonon-limited carrier mobility in Janus WBPX2 (X = S, Se, Te) monolayers |
1426 |
Mingjun Chen et al. Excitonic Shift Current in Monolayer MoS2 |
1425 |
Jin Hou et al. Exciton diffusion beyond 2 μm enabled by maximum symmetry in two-dimensional perovskites |
1424 |
Zirui He, Shang-Peng Gao, Meng Chen Exceptionally High Carrier Mobility in Hexagonal Diamond |
1423 |
Luman Shang et al. Evolution of phonon transport across structural phase transitions in MgAgSb |
1422 |
Chun Zhang et al. Enhanced superconductivity in atomically thin noble metals: From quantum confinement to interface-induced Lifshitz transition |
1421 |
Mosayeb Naseri Enhanced Superconductivity in Lithium-Sandwiched Graphene |
1420 |
Emergent topology and superconductivity in hexagonal ScSi2: A first-principles perspective |
1419 |
Md Sabbir Hossen Bijoy et al. Electronic-Structure Correlations Governing Superconductivity in Nb-Based High-Entropy Alloys |
1418 |
Electronic properties, piezoelectricity, and electron–phonon scattering limited carrier mobility in Janus MBNSe2 (M= Ti, Zr, Hf) monolayers |
1417 |
Zhaosheng Zhang et al. Electronegativity Informed Graph Neural Networks for Superconducting Temperature Prediction with Generative Crystal Validation |
1416 |
Tae Yun Kim et al. Electron-phonon physics at the exascale: a hybrid MPI-GPU-OpenMP framework for scalable Wannier interpolation |
1415 |
Xu-dong He et al. Electron-phonon coupling induced superconductivity and its regulation in bilayer Kagome borophene Physica. E, Low-Dimensional systems and nanostructures (2026) |
1414 |
Jan-Etienne Pudell et al. Electron pressure drives THz phonons in metal–metal superlattices |
1413 |
Zihang Li et al. Efficient Separation and Long Lifetime of Charge Carriers in the Type-I Heterostructure of Doped BN/Graphene Quantum Dots |
1412 |
Efficient Descriptors for the Power Factor of Thermoelectric Materials |
1411 |
Lan-Lin Du et al. Critical Role of Hydrogen in Unconventional Superconductors: The Case of Hydrogenated FeSe Layers |
1410 |
C. E. Jensen et al. Coherent Phonon-Driven Band Renormalizations in 1T’-MoTe₂ |
1409 |
Circular Raman responses from angular-momentum inequivalence in CoSi |
1408 |
Álvaro Adrián Carrasco Álvarez, Samuel Poncé Challenging the p-type Paradigm: Intrinsic n-type Mobility in Antiferromagnetic Cr₂O₃ |
1407 |
Bonding Mechanisms Underpinning Structural and Electronic Properties of Halide Perovskites |
1406 |
Hui Fang et al. Band-like Optical Signatures of Ti 3 C 2 T x MXenes |
1405 |
Woojoo Lee et al. Band renormalization in monolayer MoS 2 </m |
1404 |
Dezhuang Ji et al. Band degeneracy and convergence in high performing thermoelectric materials |
1403 |
Shengnan Dai et al. AutoParaTrans: An integrated workflow for CUDA acceleration and automated parallel algorithm transformation in electrical and thermal transport |
1402 |
Anisotropic Superconductivity, A Simple Computational Approach Suitable for High‐Throughput Simulations |
1401 |
Anisotropic Electron-Phonon Coupling in Fluorinated GeC: Ultra-Fast Hot-Carrier Thermalization from First Principles Journal of Materials Science and Chemical Engineering (2026) |
1400 |
Mihir Sahoo et al. Anharmonic lattice dynamics and superconductivity in strained bulk and surface niobium |
1399 |
Martí Raya-Moreno et al. An exciting Approach to Theoretical Spectroscopy |
1398 |
Lei Chen et al. Ambient-pressure superconductivity in a hard ternary nitride VMgN2 achieved via element substitution |
1397 |
Jae-Mo Lihm et al. Accurate calculation of Wannier centers, position matrix, and composite operators using translationally equivariant and higher-order finite differences |
1396 |
Ab initio theory of electron drag and wind forces on dislocations: Bridging quantum transport and electroplasticity |
1395 |
Yubo Yuan et al. Ab initio study of carrier mobility in Bi₂O₂Se |
1394 |
Ab Initio Spinor Kadanoff-Baym Approach to Nonequilibrium Electron, Phonon and Magnon Dynamics in Itinerant Ferromagnets |
1393 |
YU Ji-a et al. Ab Initio Quantum Transport Simulation of High-Speed 2-D Flash Memory |
1392 |
Zechen Tang et al. AI-accelerated metallized σ-bonding screening for superconductor discovery |
1391 |
Akshay Korpe et al. A computationally efficient approach for predicting the transport properties of transition-metal alloys at elevated temperatures |
1390 |
A Combined DFT and Machine Learning Study of Mg-site Substitutional Doping Modulated Electronic, Optical and Transport Properties of MgSc2S4 Spinels |
1389 |
Why Compressed Metal Hydrides are Near-room-temperature Superconductors |
1388 |
Weak electron-phonon coupling in layered electrides |
1387 |
Wannier-function-based approach to coupled exciton-phonon-photon dynamics in two-dimensional semiconductors |
1386 |
Variational first-principles approach to self-trapped polarons |
1385 |
Eva Kogler et al. Vacancy-free cubic superconducting NbN enabled by quantum anharmonicity |
1384 |
Xiaoyu Huang et al. Unraveling the highly anisotropic optoelectronic, mechanical, and piezoelectric properties of monolayer SbP3 |
1383 |
Unraveling Energy Flow Mechanisms in Semiconductors by Ultrafast Spectroscopy: Germanium as a Case Study |
1382 |
Jing-Yang You et al. Unlikelihood of a phonon mechanism for the high-temperature superconductivity in La3Ni2O7 |
1381 |
Safdar Iqbal et al. Unleashing the phonon-mediated intrinsic carrier transport and optical properties of Uranium Dinitride (UN2) |
1380 |
Nina Girotto Erhardt et al. Understanding the origin of superconducting dome in electron-doped MoS2 monolayer |
1379 |
Viet-Anh Ha, Sabyasachi Tiwari, F. Giustino Ultrahigh Hole Mobility in Monolayer WSe2 Enabled by Spin-Orbit Suppression of Intervalley Scattering |
1378 |
Ultrafast dynamics of hot carriers: Theoretical approaches based on real-time propagation of carrier distributions |
1377 |
Yiming Pan et al. Ultrafast Strongly Anisotropic Valleytronics in SnSe |
1376 |
Stephen E. Gant et al. Ultrafast Spontaneous Exciton Dissociation via Phonon Emission in BiVO₄ |
1375 |
Nina Girotto Erhardt et al. Ultrafast Nonequilibrium Enhancement of Electron-Phonon Interaction in 2H-MoTe_{2} |
1374 |
Two-dimensional non–van der Waals niobium nitride nanosheets with high-temperature two-gap superconductivity |
1373 |
Xuance Jiang et al. Two-dimensional helical superconductivity and gapless superconducting edge modes in the 1T′-WS₂/2H-WS₂ heterophase bilayer |
1372 |
Tuning the RKKY interaction in bilayer graphene: the pivotal role of electron–phonon coupling and external fields |
1371 |
Yingqi Wang, Zhirong Liu Toward Efficient and Accurate Prediction of Phonon‐Limited Carrier Mobility by First Principles |
1370 |
Time-Domain Observation of Ultrafast Self-Trapped Exciton Formation in Lead-Free Double Halide Perovskites |
1369 |
Ziqi Hao et al. Thermoelectric properties of two-dimensional Janus penta-PdXY (XY = SeTe, SSe, or STe) monolayers: Electron–phonon averaged approximation studies |
1368 |
Nguyen Thanh Tien et al. Thermoelectric properties of penta-InP5: A first-principles and machine learning study |
1367 |
Thermoelectric performance of Bi-based novel Janus monolayer structures |
1366 |
Thermal conductivity of WC: Microstructural design driven by first-principles simulations |
1365 |
Theory of quasistatically screened electron-polar optical phonon scattering |
1364 |
Theory of ab initio downfolding with arbitrary range electron-phonon coupling |
1363 |
Theoretical prediction of structural stability and superconductivity in Janus Ti 2 |
1362 |
Enes Ibrahim Duden et al. Theoretical prediction of electronic and thermal transport properties of the double half-Heusler compounds X2FeNiSn2</mml |
1361 |
Xianyi Cai et al. Theoretical insight into thermoelectric response of valleytronic semiconductor 1H-TiNBr monolayer |
1360 |
The role of electron correlations and spin-orbit interaction in predicting electrical and heat transport of uranium monocarbide |
1359 |
Wenbo Zhao et al. The impact of ionic anharmonicity on superconductivity in metal-stuffed B-C clathrates |
1358 |
Chuang Zhang et al. The effects of electron-phonon interactions on the lattice thermal conductivity of wurtzite AlN Intersociety Conference on Thermal and Thermomechanical Phenomena in Electronic Systems (2025) |
1357 |
Bin-bin Wang et al. The development of high thermal conductivity die steel with excellent performance: Integrating alloy design, heat treatment, and ceramic particle reinforcement |
1356 |
Ting Guo, Donglin Guo The Optimal Grain Boundary Enhances the Thermoelectric Performance of SnSe by 40% to 50% |
1355 |
Xiaohui Zhou et al. Tensile strain induced enhancement of the electron transport in polar two-dimensional (2D) InN |
1354 |
Sebastian Kalhöfer Temperature and magnetic field dependent g -factors in electron spin resonance spectroscopy |
1353 |
Kan Tang et al. Surface functionalization tuned optical and thermal properties of Ti3C2 MXene for enhanced photothermal conversion |
1352 |
Shan-shan Wu et al. Superconductivity of the two-dimensional MB2C2 (M = 3d, 4d) monolayers |
1351 |
Yinchang Zhao et al. Superconductivity in hexagonal BC monolayer-based films |
1350 |
Bo-wen Yao et al. Superconductivity in atom-intercalated quaternary hydrides under ambient pressure |
1349 |
Zhenfeng Ouyang, M. Gao, Zhong-Yi Lu Superconductivity in a three-dimensional kagome-like boron allotrope |
1348 |
X-D Cai et al. Superconductivity in Electron Liquids: Precision Many-Body Treatment of Coulomb Interaction |
1347 |
Ming-Xing Huang et al. Superconductivity at 22.3 K in Compressed Sodium-intercalated Graphite |
1346 |
Strain-tuned electron-phonon coupling in topological edge states of 2D materials |
1345 |
Strain-induced superconductivity in RuO2(100) thin-films |
1344 |
Stability, Electronic Disruption, and Anisotropic Superconductivity of Hydrogenated Trilayer Metal Tetraborides (MB4H; M = Be, Mg, Ca, Al) |
1343 |
Mingyao Xiong et al. Sr3SbN and Sr3BiN: two anti-perovskite thermoelectric materials with low lattice thermal conductivity |
1342 |
Silicon biphenylene network: A versatile 2D material platform for nanoelectronics with tunable electronic, thermal, and thermoelectric properties |
1341 |
Vinod Kumar Solet, S. K. Pandey Significant first-principles electron-phonon coupling effects in the LiZnAs and ScAgC half-Heusler thermoelectrics |
1340 |
Significant Seebeck coefficients driven by coexisting Dirac bands and van Hove singularities in bilayer Kagome borophene |
1339 |
Arafat Rahman, A. Kabir, Tareq Mahmud Semimetallic superconductivity in cubic Nd3In: a first-principles insight into indium-based compounds |
1338 |
Mehrdad T. Kiani et al. Searching for materials for next-generation on-chip interconnects |
1337 |
Qi Qu et al. Role of irreducible occupancy sites on thermoelectric performance of Te-doped BiSbSe3 |
1336 |
Role of electron-phonon scattering on thermoelectric coefficients in pristine Cs2NaYbCl6 perovskite |
1335 |
Role of anharmonic correction in superconducting phase of two-dimensional alloy Al0.75Si0.25B2: insight from ab initio anisotropic Migdal-Eliashberg theory |
1334 |
Robust ferrimagnetic ground state and suppressed superconductivity in two-dimensional C |
1333 |
Marios Zacharias et al. Roadmap for electronic structure, anharmonicity, and electron-phonon calculations in locally disordered inorganic and hybrid halide perovskites |
1332 |
Revisiting ab-initio excited state forces from many-body Green’s function formalism: approximations and benchmark |
1331 |
Review: beyond the surface—exploring the complexities of 2D materials with density functional theory |
1330 |
Kexin Zhang et al. Record Superconductivity in a Kagome Calcium Boride at High Pressure |
1329 |
Real-space superconducting properties in the atomically-thin limit: Ab initio approach and its application to Josephson junctions |
1328 |
Jianqi Huang et al. QR-code: An open-source program for double resonance Raman spectra |
1327 |
Mingzhe Hu et al. Pronounced orbital-selective electron-electron correlation and electron-phonon coupling in V2Se2O |
1326 |
Pressure-tuning the spatial extension of polarons and charge mobilities in polar insulators |
1325 |
Tingwei An et al. Pressure-driven charge redistribution and superconductivity enhancement in host-guest Ca4Li electride |
1324 |
Subhajit Pramanick, Sudip Chakraborty, A. Taraphder Pressure induced evolution of anisotropic superconductivity and Fermi surface nesting in a ternary boride |
1323 |
Prediction of superconductivity in Haeckelite compounds using first-principles calculations |
1322 |
Christopher Renskers et al. Prediction of high-temperature superconductivity in LaH4 at low pressures |
1321 |
Zhengtao Liu et al. Prediction of high-Tc phonon-mediated superconductivity with strong Ising spin-orbit coupling in monolayer WNO |
1320 |
Peng-Jen Chen Prediction of a Two-Gap High-Tc Superconducting Covalent Organic Framework |
1319 |
Haowei Xu et al. Prediction of Ambient-Pressure High-Temperature Superconductivity in Doped Transition-Metal Hydrides |
1318 |
Chun-Mei Hao et al. Predicting a metallic carbon allotrope: Pop-graphite via Na–C compounds |
1317 |
Polymorphism and Phase Control in Dion–Jacobson 2D 3-(Aminomethyl)piperidinium-Based Metal Iodide Perovskites |
1316 |
Ye Zhang et al. Polarized double-resonance Raman spectra of black phosphorus |
1315 |
Christopher J. N. Coveney et al. Phonon-mediated electron attraction in SrTiO₃ via the generalized Fröhlich and deformation potential mechanisms |
1314 |
Chunhui Li, Lei Shan, Long Cheng Phonon-limited hole mobility and thermoelectric transport of monolayer WCu2Se4 from first-principles calculations |
1313 |
Romain Claes et al. Phonon-limited electronic transport through first principles |
1312 |
Zhe Liu et al. Phonon-limited carrier transport in the Weyl semimetal TaAs |
1311 |
Chunhao Guo et al. Phonon-assisted radiative lifetimes and exciton dynamics from first principles |
1310 |
Jianshi Sun et al. Phonon thermal transport in two-dimensional gallium nitride: Role of higher-order phonon–phonon and phonon–electron scattering |
1309 |
Ethan J. Meitz, Gerald J. Wang, A. McGaughey Phonon mode resolved anharmonic heat capacity of solids |
1308 |
Phonon frequency and energy of electron-phonon interactions at the band gap of InAs, InP, GaP, and GaN semiconductors |
1307 |
Stefan Enzner et al. Phonon fluctuation diagnostics: Origin of charge order in AV₃Sb₅ kagome metals |
1306 |
Phonon Olympics: Phonon property and lattice thermal conductivity benchmarking from open-source packages |
1305 |
Xiao-Yu Yan et al. Phase-sensitive evidence for pair density waves in a kagome superconductor Proceedings of the National Academy of Sciences of the United States of America (2025) |
1304 |
Hichem Benaissa et al. Phase-Dependent Topological and Superconductivity Properties of Tantalum-Carbide Systems |
1303 |
Sung-Uk Song, Tae-Hwan Kim, S. Jhi Phase stabilization of strained 1T monolayer IrTe2</ |
1302 |
Phase stability and superconductivity in hydrogenated and lithiated Janus Ga X S2 ( X = Ga, In) monolayers |
1301 |
Jianshi Sun et al. Over One Order of Magnitude Enhancement in Hole Mobility of 2D III-V Semiconductors through Valence Band Edge Shift |
1300 |
Yiming Pan et al. Origin of phonon decoherence |
1299 |
Run Lv et al. Orbital-selective two-gap superconductivity in kagome metal CsV3Sb5 |
1298 |
Xiaotong Liao et al. Orbital-driven competition: Ferromagnetism and superconductivity in Li-intercalated transition metal dichalcogenides |
1297 |
Ao Wang et al. Opposite impact of thermal expansion and phonon anharmonicity on the phonon-limited resistivity of elemental metals from first principles |
1296 |
Nonradiative Recombination of Excitons in Periodic Solids: A Case Study of Dion-Jacobson Lead-Halide Perovskite |
1295 |
Kai-Yue Jiang et al. Nonmonotonic superconductivity, nontrivial band topology, and electride state in a beryllene system |
1294 |
Ziwen Zou et al. Nonmonotonic phonon thermal conductivity modulated by electron–phonon interaction in graphene/h-BN heterostructures |
1293 |
Shashi B. Mishra, E. R. Margine Nonadiabatic and Anharmonic Effects in High‐Pressure H3S and D3S Superconductors |
1292 |
Yufei Sheng et al. Multiscale Thermal Simulation for GAAFET With First-Principles-Based Boltzmann Transport Equation |
1291 |
Haoyue Liu et al. Multigap and high- T c |
1290 |
Zhizhong Ding et al. Multidomed superconductivity and tunable orbital-selective pairing in pressurized FeSe with correlation enhanced electron-phonon coupling |
1289 |
Hao Liu et al. Multi-gap and high-Tc superconductivity in metal-atom-free borocarbides: Effects of dimensional confinement and strain engineering |
1288 |
Yiming Pan et al. Momentum-Resolved Signatures of Carrier Screening Effects on Electron–Phonon Coupling in MoS2 |
1287 |
Young-joo Lee et al. Momentum-Resolved Relaxation-Time Approach for Size-Dependent Conductivity in Anisotropic Metallic Films |
1286 |
Simin Nie et al. Modulating superconductivity in elementary materials by doping |
1285 |
Binyuan Zhang, Xiangru Kong, Weijiang Gong Modified Ziman Resistivity Formula and Temperature Dependence of Intrinsic Resistivity: A Case Study of Janus WSH Monolayer |
1284 |
Ma’elie Caussé et al. Metastability and high-Tc superconductivity in A15-type ternary hydride YSbH6 at moderate pressure |
1283 |
Lingxiao Xiong, Yuhui Yan, Feipeng Zheng Metal-to-superconductor transition induced by lithium adsorption on monolayer 1T−Nb2<mml:mi mathvariant=” |
1282 |
Maximizing Thermoelectric Performance of Monolayer C3NC₃ N Through Strategic Adsorption with Emerging Dumbbell Geometry |
1281 |
Max Großmann et al. Many-body perturbation theory vs. density functional theory: a systematic benchmark for band gaps of solids |
1280 |
Zien Zhu et al. Many-Body Correlation Effects in Fröhlich Electron-Phonon Coupling |
1279 |
Ruiqi Zhang et al. Magnetism-Enhanced Strong Electron-Phonon Coupling in Infinite-Layer Nickelate |
1278 |
Chen Yang et al. Magnesium-Based Hydride Superconductor Mg7LiH with Tc ∼ 59 K under Ambient Pressure |
1277 |
Beihan Chen et al. Machine learning interatomic potential for predicting the thermal properties of uranium nitride |
1276 |
Kagome Superconductors et al. Machine Learning-Guided Discovery of Kagome Superconductors YRu3B2 and LuRu3B2 |
1275 |
Luka Beni’c et al. Machine Learning Model for Efficient Nonthermal Tuning of the Charge Density Wave in Monolayer NbSe2 |
1274 |
Marios Zacharias, J. Even Local Structural Disorder in Crystalline Materials |
1273 |
Chunhua Li, D. Broido Large electron-phonon drag asymmetry and reverse heat flow in the topological semimetal θ-TaN |
1272 |
Shaofei Wang et al. Kohn anomalies and phonon anharmonicity in iridium |
1271 |
Jiaxuan Xu et al. Isovalent Doping Reduces Channel Temperature Within Nanoscale Devices |
1270 |
Eva Kogler et al. IsoME: Streamlining high-precision Eliashberg calculations |
1269 |
Xiao-Qi Han et al. InvDesFlow-AL: active learning-based workflow for inverse design of functional materials |
1268 |
Safdar Iqbal et al. Intrinsic carrier transport and optical properties of lead-free inorganic halide double perovskites from first-principles |
1267 |
Zhixuan Bi et al. Intrinsic Exciton Transport and Recombination in Single-Crystal Lead Bromide Perovskite |
1266 |
Interband and kinetic corrections to the electronic Boltzmann transport equation |
1265 |
Inorganic M3ACl3 (M = Ca, Sr, Ba, A = N, P, As) perovskite-derivatives for next-generation solar cells and optoelectronics: in-depth analysis of stability, optoelectronic features, and temperature-dependent carrier mobilities |
1264 |
Sepideh Akhbarifar, Mona Zebarjadi Innovation in thermoelectric materials: From fundamental physics to practical applications |
1263 |
Mohammad Dehghani et al. Influence of the Effective Mass on ab initio Phonon-limited Electron Mobility of GaAs |
1262 |
Camiel van Efferen et al. Inelastic tunneling into multipolaronic bound states in single-layer MoS₂ |
1261 |
Samuel Poncé, X. Gonze In search of the electron-phonon contribution to total energy |
1260 |
Patrick Williams, A. Dyson Improved Calculation of Acoustic Deformation Potentials from First Principles |
1259 |
Enrico Marazzi et al. Importance of Nonadiabatic Effects in Kohn Anomalies in 1D Metals |
1258 |
Neelesh Gupta, Anup Shrivastava, Jost Adam Impact of strain and electron–phonon coupling on thermoelectric performance of Germanene Physica. E, Low-Dimensional systems and nanostructures (2025) |
1257 |
Siyu Chen et al. Impact of electronic correlations on the superconductivity of high-pressure CeH9 |
1256 |
INTW: A versatile modular environment for advanced treatment of electronic structure and electron-phonon related properties |
1255 |
Jiaxuan Xu, Weikang Li, Hua Bao Hot Electron Dynamics Modulated by Nonequilibrium Phonon Excitations |
1254 |
Xiaojun Wang et al. High‐Temperature Superconductivity in Li‐Removed Icosahedral B13C2 |
1253 |
Kieran Bozier et al. High-throughput superconducting Tc predictions through density of states rescaling |
1252 |
Zongmong Yang et al. High-throughput computational screening of two-dimensional oxides for high-performance electronic and optoelectronic devices |
1251 |
Jiaqi Zhou, Samuel Poncé, Jean-Christophe Charlier High-throughput calculations of spin Hall conductivity in non-magnetic 2D materials |
1250 |
Zhenfeng Ouyang et al. High-temperature superconductivity in Li2AuH6 mediated by strong electron-phonon coupling under amb |
1249 |
Ashok K. Verma, P. Modak, Anushaktinagar Mumbai High-Temperature Superconductivity in Compressed Molecular Hydrogen via Controlled Electron-Doping |
1248 |
High-Tc 2D ambient BCS superconductors in hydrogenated transition-metal borides |
1247 |
Daviti Gochitashvili et al. High-T c AgxBC and CuxBC superconductors accessible via topochemical reactions |
1246 |
High ZT and low lattice thermal conductivity in defective half-Heusler Zr0.75PtSb 1−xBix alloys: promising for mid- and high-temperature thermoelectric applications |
1245 |
High Thermoelectric Performance via Stacking-Controlled Symmetry Breaking in Layered XZnBi (X = Rb, Cs) Zintl Materials |
1244 |
Guided Diffusion for the Discovery of New Superconductors |
1243 |
Xianghui Meng et al. Guest metal-driven quantum anharmonic effects on stability and two-gap superconductivity in carbon-boron clathrates |
1242 |
Nenad Vukmirović Grid-free evaluation of phonon-limited electronic relaxation times and transport properties |
1241 |
Susy Exists et al. Giant Kohn Anomaly and Chiral Phonons in the Charge-Density Wave Phase of 1H-NbSe2: Impact of Phonon Anticrossing |
1240 |
Jianyong Chen et al. Generic approach for integrating ferroelectricity and superconductivity into a single two-dimensional monolayer |
1239 |
Shuai Zhang et al. General ab initio framework for electronic-order–induced lattice-dynamics symmetry breaking |
1238 |
Full Band Semi-Classical Monte-Carlo Simulation of Layer Number-Dependent Electron Transport in MoS₂ and InSe International Conference on Simulation of Semiconductor Processes and Devices (2025) |
1237 |
Formation and Transport of Polarons in β-Ga2O3: an Ab Initio Study |
1236 |
Gaoxue Wang et al. First-principles study of structural, elastic, electronic, transport properties, and dielectric breakdown of Cs2Te photocathode |
1235 |
Su-Tao Sun et al. First-principles studies on superconductivity in quintuple-layer M2X3 <mml:math xmlns:mml=”http:// |
1234 |
Changpeng Lin et al. First-principles phonon physics using the Pheasy code |
1233 |
Wooil Yang et al. First-principles electron-phonon interactions with self-consistent Hubbard interaction: Application to transparent conducting oxides |
1232 |
Jia-Ying Chen et al. First-principles calculations of superconductivity in Li-decorated WSH monolayer European Physical Journal B : Condensed Matter Physics (2025) |
1231 |
Xiao Jiang et al. First-Principles Study of Polarons in Multiple Crystal Phases of Bismuth Vanadate |
1230 |
First-Principles Modeling of Electron-Phonon Scattering Rates in Hydrogenated Graphene |
1229 |
Extreme-Band-Gap Semiconductors with Shallow Dopants and Mobile Carriers |
1228 |
Thomas P. van Waas et al. Extraction of the self energy and Eliashberg function from angle resolved photoemission spectroscopy using the xARPES code |
1227 |
Exploring topological phases in superconducting transition metal (Sc, Ti, V)-carbides |
1226 |
Guy Vosco, S. Refaely-Abramson Exciton-Exciton Annihilation Mediated by Many-Body Coulomb and Phonon Interactions: An Ab Initio Study |
1225 |
Yang-hao Chan et al. Exciton thermalization dynamics in monolayer MoS2 : A first-principles Boltzmann equation study |
1224 |
Qijing Zheng et al. Excited-state dynamics in condensed matter |
1223 |
Sirsha Guha, Sitangshu Bhattacharya, Santanu Mahapatra Exceptional ballisticity in monolayer BX (X = P, As, Sb) transistors |
1222 |
Jonas B. Profe et al. Exact downfolding and its perturbative approximation |
1221 |
Shuo Zhao, Liwei Jiang, Yisong Zheng Evaluation of electronic transport properties of one-dimensional TaSe3 based on first-principles calcu |
1220 |
Konrad Merkel et al. Evaluating first-principles electron–phonon couplings: consistency across methods and implementations |
1219 |
Stefano Falletta et al. Equivalence of charged and neutral density functional formulations for correcting the many-body self-interaction of polarons |
1218 |
Enhancing thermoelectric properties of ScN films through twin domains |
1217 |
Enhanced thermoelectric properties and high carrier mobility of two-dimensional SbBiSY2 (Y = Se, Te) and their Janus monolayers |
1216 |
Juan Zhang et al. Enhanced long-range quadrupole effects in 2D MSi2N4: impacts on electric and thermal transport |
1215 |
Juan Cui et al. Enhanced carrier mobility in strain-engineered PdAs2 monolayer boosted by suppressing interband scattering |
1214 |
Shashi B. Mishra, Hitoshi Mori, E. R. Margine Electron–phonon vertex correction effect in superconducting H3S |
1213 |
Sina Kazemian, Giovanni Fanchini Electron–phonon interaction and lattice thermal conductivity from metals to 2D Dirac crystals: a review |
1212 |
Electron–Phonon Scattering Dominated Intrinsic Mobility in Janus M BNS 2 ( M = Ti, Zr, Hf) Monolayers |
1211 |
Electronic band structure, magnetic and thermoelectric properties of sodium and lanthanum cobaltites: ab initio PAW approach |
1210 |
Electron-phonon-dominated charge-density-wave fluctuations in TiSe2 accessed by ultrafast nonequilibrium dynamics |
1209 |
Kai-Cheng Zhang et al. Electron-phonon scattering in carrier transport of the ternary chalcopyrites AgInX2 (</mml:m |
1208 |
Wuyun Dalai et al. Electron-phonon scattering in Janus 1T-SnSSe monolayer with an asymmetric structure |
1207 |
Marios Zacharias et al. Electron-phonon couplings in polymorphous crystals |
1206 |
Zhenfeng Ouyang et al. Electron-phonon coupling of one-dimensional (3,0) carbon nanotube |
1205 |
Wenxiang Liu, Xing Xiang, Yanguang Zhou Electron-phonon coupling in polycrystalline silicon |
1204 |
Álvaro Adrián Carrasco Álvarez et al. Electron-phonon coupling in magnetic materials using the local spin density approximation |
1203 |
Ran Zhou et al. Electron-phonon coupling in half-Heusler compounds: A comparative study of TiCoSb and TiNiSn |
1202 |
Shenli Zhang et al. Electron-Phonon Renormalization in the Proton-Conducting Electrolyte BaZrO <mml:math xmlns:mml=”http:// |
1201 |
Jennifer Coulter et al. Electron-Phonon Origins of Unconventional Resistivity in Moderately Correlated Perovskite Oxides |
1200 |
Kai Liu et al. Electron transport in two-dimensional monolayer semiconductors β-ZrNCl and β-HfNCl: a first-principles study |
1199 |
Amanda Wang et al. Electron mobility in AlN from first principles |
1198 |
Yufei Sheng et al. Electrically-driven reversible phonon transport manipulation in two-dimensional heterostructures |
1197 |
Donghyeok Lee et al. Efficient and Accurate Full Band Semi-Classical Monte-Carlo Transport Simulation Using Smearing Method and Marching Tetrahedra Algorithm International Conference on Simulation of Semiconductor Processes and Devices (2025) |
1196 |
Effects of phonon confinement on electron transport in Si nanowire and armchair-edge graphene nanoribbon transistors: A dissipative quantum-transport study |
1195 |
Minwoo Park, S. Chung Effects of Homogeneous Doping on Electron–Phonon Coupling in SrTiO3 |
1194 |
Ankit Sharma, Animesh Datta, U. Singisetti Effective phonon dispersion and low-field transport in β-(AlxGa1−x)2O3 alloy semiconductor |
1193 |
Soubhik Bhattacharyya, R. Thangavel, P. M. Sarun Effect of hydrostatic pressure on the electronic and superconducting properties of bismuthate superconductor: An ab initio study |
1192 |
EPW-VASP interface for first-principles calculations of electron-phonon interactions |
1191 |
Chong Tian et al. Ductile Al7MgH2 superconductors with <mml |
1190 |
Hikaru Watanabe et al. Dual-circular Raman optical activity of axial multipolar order |
1189 |
Qing Lu et al. Diverse carbon units in high-pressure C-K system predicted from first-principles and machine-learning methods |
1188 |
Shu-Xiang Qiao et al. Diverse and Tunable Charge Density Waves, Superconductivity, and Band Topology in Two‐dimensional 1T‐M2S (M = Zr, Hf) |
1187 |
Jianshi Sun et al. Diverse Responses in Lattice Thermal Conductivity of n‐Type/p‐Type Wurtzite Semiconductors Driven by Asymmetric Electron‐Phonon Interactions |
1186 |
Zhijing Huang et al. Discovery of a robust non-Janus hybrid MoSH monolayer as a two-gap superconductor via high-throughput computational screening |
1185 |
Wen-Tong Li et al. Direct evidence for electron-phonon interaction-driven phonon transport attenuation above ambient temperature |
1184 |
Jiaxuan Xu et al. Direct Observation of Substantial Phonon Nonequilibrium Near Nanoscale Hotspots in Gallium Nitride |
1183 |
Zhuangzhuang Qiao et al. Design principle for high-temperature superconductivity in ternary borides at ambient pressure |
1182 |
Jie-Cheng Chen et al. Design of high-mobility p-type GaN via the piezomobility tensor |
1181 |
Yongbo Shi et al. Design of Transition Metal Dichalcogenides Using General-Purpose Machine-Learned Interatomic Potentials |
1180 |
Density Functional Theory-Based Study of UC2 and Cr-Doped UO2 |
1179 |
Aoran Fan et al. Decoupling Heat and Electrical Conduction in Bilayer Graphene Through Wrinkling‐Induced Phonon Hybridization |
1178 |
Ye Zhang et al. DUV Double‐Resonant Raman Spectra and Interference Effect in Graphene: First‐Principles Calculations |
1177 |
DFT studies of the effect of magnetic ordering and Hubbard U on the properties of UN |
1176 |
Xiao Zhang et al. Cubic BeB2 : A metastable p -type conductive material from first principles |
1175 |
Jennifer Coulter, Bogdan Rajkov, Michele Simoncelli Coupled electron-phonon hydrodynamics and viscous thermoelectric equations |
1174 |
Coupled Electron-Phonon Hydrodynamics in Two-Dimensional Semiconductors |
1173 |
Sieun Chae et al. Controlling the p-type conductivity of α-SnO thin films by potassium doping |
1172 |
Xianyong Ding et al. Concurrent high thermal conductivity and high carrier mobility in tetragonal tantalum nitride |
1171 |
Feifan Yin et al. Concurrent Superconductivity and Ultrahardness in Pressure-Induced BC19 |
1170 |
Computational Insights to Electron-Phonon and Phonon-Phonon Interactions in AgX (X = Br, Cl): Refining Thermoelectric Property Predictions |
1169 |
Comprehensive First-Principles Study of Structural, Electronic, Mechanical, Optical, and Thermoelectric Properties of Fe-Based Half-Heusler Compounds |
1168 |
Competition between superconductivity and ferromagnetism in 2D Janus MXH <mml:math xmlns:mml=”http://www.w |
1167 |
Zhenbang Dai et al. Comparison between first-principles supercell calculations of polarons and the ab initio polaron equations |
1166 |
Shashi B. Mishra et al. Comparative study of phonon-limited carrier transport in the Weyl semimetal TaAs family |
1165 |
Coherent phonon control beyond amplitude saturation in a sliding ferroelectric |
1164 |
Boxun Han, Hong Zhang Coexistence of superconductivity and topological phase in kagome metals CsTi3Te3X2 (X = Bi, Sb, Se, Sn): A first-principles investigation |
1163 |
Coexistence of charge density wave and field-tuned magnetic states in TmNiC2 |
1162 |
Marnik Bercx et al. Charting the Landscape of Bardeen-Cooper-Schrieffer Superconductors in Experimentally Known Compounds |
1161 |
Charge-Phonon Coupling in Tin Halide Perovskites |
1160 |
Pascal Puech et al. Charge transfer during sodium-ion intercalation in graphite-like anodes as determined by Raman spectroscopy |
1159 |
Yuhui Yan, Lingxiao Xiong, Feipeng Zheng Charge orders in fully intercalated bilayer TaSe2 : Dependence on interlayer stacking and intercalation sites |
1158 |
Xiu-Heng Liu et al. Charge density wave, superconductivity, and nontrivial topology in monolayer NbSi2As4 |
1157 |
Carrier mobility in Janus WBAs X2 (X= S, Se, Te) governed by electron–phonon scattering: A first-principles study |
1156 |
Aleksandr Poliukhin et al. Carrier mobilities and electron-phonon interactions beyond DFT |
1155 |
Mingyao Xiong et al. Ca3SbN and Ca3BiN: Two promising anti-perovskite thermoelectric materials |
1154 |
Xiaowei Wu et al. Bulk Bi-Sb polycrystals underpinned by high electron/phonon mean free path ratio enabling thermoelectric cooling under 77 K |
1153 |
Shoaib Mansoori, Edward Chen, Massimo V. Fischetti Bilayer TMDs for Future FETs: Carrier Dynamics and Device Implications |
1152 |
Jae-Mo Lihm, Samuel Poncé Beyond-quasiparticle transport with vertex correction: self-consistent ladder formalism for electron-phonon interactions |
1151 |
Zhi Li et al. Atomic-vibration-induced nonlinear electronic polarization for terahertz detection |
1150 |
Asymmetry and coverage dependence in two-pulse correlation measurements of CO photodesorption from Pd(111): Insights from theory |
1149 |
Binyuan Zhang, Xiangru Kong, Weijiang Gong Anomalous Dependence of Seebeck Coefficient and ZT Value on Van Hove Singularity: A Case Study of Janus 2H-WSH Monolayer |
1148 |
Haoqi Chen et al. Anisotropic superconductivity in metal-intercalated layered borocarbides induced by σ electrons coupling with soft phonon modes |
1147 |
Yu-Lin Han et al. Anisotropic high- Tc superconductivity above 90 K in hole-doped boron-nitrogen clathrates at ambient pressure |
1146 |
Haoxuan Zhang et al. Anisotropic Superconductivity in Bilayer Kagome Borophene |
1145 |
Xin Jin et al. Anharmonicity-driven avoided phonon crossing and anomalous thermal transport in the nodal-line semimetal ZrSiS |
1144 |
Chong Tian et al. Ambient-pressure topological superconductivity in Ag4H up to 63 K by metallization of hydrogen |
1143 |
Junsoo Park, A. Ganose, Yi Xia Advances in theory and computational methods for next-generation thermoelectric materials |
1142 |
Baksa Kolok, György Frank, András Pályi Acoustic phonons, spin-phonon coupling, and spin relaxation via the lattice reorientation mechanism in hexagonal germanium nanowires |
1141 |
Alexander C. Tyner et al. Accelerated Discovery of Topological Conductors for Nanoscale Interconnects |
1140 |
Yiming Pan et al. Ab initio theory of coherent phonon damping in semimetals |
1139 |
Dwaipayan Paul, E. Trukhan, N. Protik Ab initio study of Coulomb drag driven electron-hole bifluidity in doped graphene |
1138 |
Alejandro Simon et al. Ab initio modeling of nonequilibrium dynamics in superconducting detectors and qubits |
1137 |
Ab initio investigation on structural stability and phonon-mediated superconductivity in 2D-hydrogenated M <mml:mrow/ |
1136 |
Tomer Amit et al. Ab initio density-matrix approach to exciton coherence: Phonon scattering, Coulomb interactions, and radiative recombination |
1135 |
Ab initio calculations of the thermoelectric figure of merit, within the relaxation time approximation |
1134 |
Jianguo Si et al. A dynamic high-temperature superconductor at ambient pressure |
1133 |
Yuxuan Jiang et al. 2D ferroelectric narrow-bandgap semiconductor Wurtzite’ type α-In2Se3 and its silicon-compatible growth |
1132 |
When Could Abelian Fractional Topological Insulators Exist in Twisted MoTe₂ (and Other Systems) |
1131 |
Jianshi Sun et al. Weak effects of electron-phonon interactions on the lattice thermal conductivity of wurtzite GaN with high electron concentrations |
1130 |
Samuel Poncé, Jae-Mo Lihm, Cheol-Hwan Park Verification and validation of zero-point electron-phonon renormalization of the bandgap, mass enhancement, and spectral functions |
1129 |
Giovanni Caldarelli et al. Variational formulation of dynamical electronic response functions in the presence of nonlocal exchange interactions |
1128 |
Yuxuan Chen et al. Unveiling the microscopic dynamics of the charge density wave transition in monolayer VX2 ( <mml:math xmlns:mml=”htt |
1127 |
Unveiling the Role of Electron-Phonon Scattering in Dephasing High-Order Harmonics in Solids |
1126 |
Xianghui Meng et al. Unraveling the evolution of multigap superconductivity in layered Na-B-C films: an additional energy gap induced by the internal B-C layer |
1125 |
Unraveling Optical Polarization at Deep Microscopic Scales in Crystalline Materials |
1124 |
Jianshi Sun et al. Unlocking high hole mobility in diamond over a wide temperature range via efficient shear strain |
1123 |
Sabyasachi Tiwari et al. Unified theory of optical absorption and luminescence including both direct and phonon-assisted processes |
1122 |
Shuai Zhang, K. Luo, Tiantian Zhang Understanding chiral charge-density wave by frozen chiral phonon |
1121 |
Qiaolin Yang et al. Uncovering the important role of transverse acoustic phonons in the carrier-phonon scattering in silicon |
1120 |
Unconventional superconducting pairing in a B20 multifold Weyl fermion semimetal |
1119 |
Cheng-Long Zhou et al. Unconventional Thermophotonic Charge Density Wave |
1118 |
Sumit Kukreti, Surbhi Ramawat, Ambesh Dixit Ultralow thermal conduction and impurity scattering in Cu2HgSnS4 : An Hg-harnes |
1117 |
Lennart Klebl et al. Ultrafast Pseudomagnetic Fields from Electron-Nuclear Quantum Geometry |
1116 |
Tianyun Lin et al. Ultrafast Carrier Relaxation Dynamics in a Nodal-Line Semimetal PtSn4 |
1115 |
Two-dimensional BiSbTeX2 (X = S, Se, Te) and their Janus monolayers as efficient thermoelectric materials |
1114 |
Nidhi Verma, Poonam Chauhan, Ashok Kumar Two-dimensional Be2P4 as a promising thermoelectric material and anode for Na/K-ion batteries |
1113 |
Two-Dimensional Oxyhalides for Power Electronics |
1112 |
Meng Li, Xiaolei Shi, Zhi-gang Chen Trends in GeTe Thermoelectrics: From Fundamentals to Applications |
1111 |
Jon Lafuente-Bartolome, Chao Lian, F. Giustino Topological polarons in halide perovskites Proceedings of the National Academy of Sciences of the United States of America (2024) |
1110 |
Topological non trivial phases in yttrium-based superconductors YC, YN, and YO |
1109 |
Jiaqing Gao, Zhenyu Zhang, Ping Cui Topological and superconducting properties of monolayered CoN and CoP: A first-principles comparative study |
1108 |
Meng-Yuan Yu et al. Tl2XY (X, Y = S, Se) monolayers with low lattice thermal conductivity and high thermoelectric performance by full-band approach with four scattering mechanisms |
1107 |
Hao Liu et al. Three-gap superconductivity with Tc above 80 K in hydrogenated 2D monolayer LiBC |
1106 |
Hao Liu et al. Three-gap superconductivity with Tc above 80 K in hydrogenated 2D monolayer LiBC |
1105 |
Kieran B. Spooner et al. ThermoParser: Streamlined Analysis of Thermoelectric Properties |
1104 |
Guijian Pang et al. Thermal conductivity reduction in highly-doped cubic SiC by phonon-defect and phonon-electron scattering |
1103 |
Zhenbang Dai et al. Theory of excitonic polarons: From models to first-principles calculations |
1102 |
Theoretical advances in predicting the thermoelectric performance of materials |
1101 |
Shengnan Dai et al. The role of lattice thermal conductivity suppression by dopants from a holistic perspective |
1100 |
The Normal/Umklapp/Intervally/Intravally transport property of 2D SnSe |
1099 |
Shengnan Dai et al. TTEP: A code for efficient calculation of the thermal transport from constant electron-phonon coupling approximation |
1098 |
Chengyong Zhong et al. Superhard and Superconducting Bilayer Borophene |
1097 |
Huan Tran et al. Superconductor Discovery in the Emerging Paradigm of Materials Informatics |
1096 |
Shubham Patel, A. Taraphder Superconductivity, valence skipping, and topological crystalline metallic phase in AgSnSe2 |
1095 |
Superconductivity of two-dimensional hydrogenated transition-metal diborides |
1094 |
Superconductivity in the Janus WSH Monolayer |
1093 |
Superconductivity in Janus IV-B transition metal chalcogenide hydrides |
1092 |
Shicong Ding et al. Superconductivity in Diamond-Like BC15 |
1091 |
Juan Gao et al. Superconductivity at 215 K in H3SM (M=Ne, Ar, Kr, Xe, Rn) ternary hydrides |
1090 |
Pjotrs Žguns et al. Superconductivity and Pronounced Electron‐Phonon Coupling in Rock‐Salt Al1−xO1−x and Ti1−xO1−x |
1089 |
Superconducting transition temperatures of pure vanadium and vanadium-titanium alloys in the presence of dynamical electronic correlations |
1088 |
Ankit Mahajan et al. Structure and dynamics of electron-phonon coupled systems using neural quantum states |
1087 |
Adam Balvanz et al. Structural Evolution and Photoluminescence Quenching across the FASnI3-xBrx (x = 0-3) Perovskites |
1086 |
Hongmei Xie et al. Strong Lattice Anharmonicity and Superconductivity in Janus 1T-Phase MoSH |
1085 |
Yujie Xia et al. Strong Intervalley Scattering-Induced Renormalization of Electronic and Thermal Transport Properties and Selection Rule Analysis in 2D Tellurium |
1084 |
Chengyong Zhong, Xuelian Li, Peng Yu Strain-tunable Dirac semimetal phase transition and emergent superconductivity in a borophane |
1083 |
Yiming Pan, Fabio Caruso Strain-induced activation of chiral-phonon emission in monolayer WS2 |
1082 |
Stabilizing Phonon-Mediated High-Temperature Superconductivity via Helium Substitution in Pressurized Lithium Hexahydride |
1081 |
Shashi B. Mishra et al. Stability-superconductivity map for compressed Na-intercalated graphite |
1080 |
Ao Wang, Hua Bao Size-dependent thermal transport properties of advanced metallic nanowire interconnects |
1079 |
Jae-Mo Lihm, Samuel Poncé, Cheol-Hwan Park Self-consistent electron lifetimes for electron-phonon scattering |
1078 |
Alexander C. Tyner, Alexander V. Balatsky Screening the organic materials database for superconducting metal-organic frameworks |
1077 |
SVERKhPROVODIMOST’ I NEODNORODNYE SOSTOYaNIYa V METALLIChESKOM VODORODE I ELEKTRONNYKh SISTEMAKh S PRITYaZhENIEM |
1076 |
Hanwen Chen et al. Revisiting the thermoelectric transport of monolayer InP3 with full ab initio calculations |
1075 |
Byungjun Kang et al. Review on thermal transport and lattice dynamics of high-entropy alloys containing Ni |
1074 |
Omar Abdul-Aziz et al. Resonance-Induced Anomalies in Temperature-Dependent Raman Scattering of PdSe₂ |
1073 |
Zimeng Zeng et al. Resolving phonon-mediated superconducting pairing symmetries from first-principles calculation |
1072 |
Wang Ao, Sheng Yufei, Bao Hua Recent advances in Thermal Transport Theory of Metals |
1071 |
Christopher J. N. Coveney et al. Rearrangement collision theory of phonon-driven exciton dissociation |
1070 |
Wen-Han Dong et al. Realizing Strong and Robust Quasi-1D Superconductors via Multiorbital Chains: NaBe as an Example |
1069 |
Raman response, piezoelectricity, and transport properties of the two-dimensional Janus HfSiX3H </mml:m |
1068 |
Yuhao Zheng et al. Pure Hexagonal Diamond with Symmetry-Doping Properties |
1067 |
Xue Cheng et al. Probing the origin of abnormally strong electron–phonon interaction in phonon transport of semiconductor C3B monolayer |
1066 |
Niraj Bhatt et al. Pressure-driven enhancement of phonon contribution to the thermal conductivity of Iridium |
1065 |
Wenjun Zhang, Zhikun Yao, L. Burton Predicting two-dimensional semiconductors using conductivity effective mass |
1064 |
Jinlong Ma et al. Predictability of thermoelectric figure of merit for the single crystal from first principles |
1063 |
Possible coexistence of superconductivity and topological electronic states in 1T-RhSeTe |
1062 |
Polaronic Mass Enhancement and Polaronic Excitons in Metal Halide Perovskites |
1061 |
Yanru Guo et al. Polaron and Exciton in a Lead-Free Vacancy-Ordered Cs2SnBr6 Double Perovskite |
1060 |
Jae-Mo Lihm, Cheol-Hwan Park Plasmon-Phonon Hybridization in Doped Semiconductors from First Principles |
1059 |
P.-Y. Cheng et al. Physical properties and electronic structure of the two-gap superconductor V2Ga5</mml:math |
1058 |
Aiqin Yang et al. Phonon-mediated superconductivity in the transition metal trioxides XO3 (X=<mml:m |
1057 |
Jonathan Backman, Youseung Lee, M. Luisier Phonon-limited transport in two-dimensional materials: A unified approach for ab initio mobility and current calculations |
1056 |
Nicolas Roisin et al. Phonon-limited mobility for electrons and holes in highly-strained silicon |
1055 |
Phonon-induced renormalization of exchange interactions in metallic two-dimensional magnets |
1054 |
Kun Luo et al. Phonon-assisted charge carriers thermalization in semiconductor Si and metallic silicide NiSi2, CoSi2: A non-adiabatic molecular dynamics study |
1053 |
Safdar Iqbal et al. Phonon-assisted carrier transport and indirect optical absorption of cubic boron nitride from first-principles |
1052 |
Martí Raya-Moreno et al. Phonon transport manipulation in TiSe2 via reversible charge density wave melting |
1051 |
Akiyoshi Park et al. Phonon and defect mediated quantum anomalous Hall insulator to metal transition in magnetically doped topological insulators |
1050 |
Woncheol Lee et al. Phonon Screening of Excitons in Atomically Thin Semiconductors |
1049 |
Yani Chen et al. Origin of the high lattice thermal conductivity of beryllium among the elemental metals |
1048 |
Yuping Li et al. Origin of the charge density wave state in BaFe2Al9 |
1047 |
Xun Li, Li Shi Open problems in transport physics of ultrahigh-thermal conductivity materials |
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Alessio Cucciari et al. NbTi: A nontrivial puzzle for the conventional theory of superconductivity |
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Can Hong et al. Multigap superconductivity in lithium intercalated bilayer Mo2C |
1037 |
Machine-learning guided search for phonon-mediated superconductivity in boron and carbon compounds |
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1034 |
Jiaxing Qu et al. Leveraging language representation for materials exploration and discovery |
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Wenjian Zhou, Te-Huan Liu, Bai Song Isotope engineering of carrier mobility via Fröhlich electron-phonon interaction |
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Yufei Sheng et al. Integrating First-Principles-Based Non-Fourier Thermal Analysis Into Nanoscale Device Simulation |
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Zhenbang Dai, F. Giustino Identification of large polarons and exciton polarons in rutile and anatase polymorphs of titanium dioxide Proceedings of the National Academy of Sciences of the United States of America (2024) |
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Fei Wang et al. Hydrogen generation from direct Z-scheme for photocatalytic overall water splitting with the SiSe/SnSe2 and SiSe/SnSSe heterostructures |
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Shi‐ming Liu et al. High‐Throughput Study of Ambient‐Pressure High‐Temperature Superconductivity in Ductile Few‐Hydrogen Metal‐Bonded Perovskites |
1023 |
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Julia Santana-Andreo et al. High-Throughput Prediction of the Thermal and Electronic Transport Properties of Large Physical and Chemical Spaces Accelerated by Machine Learning: Charting the ZT of Binary Skutterudites |
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Linyuan Cheng et al. High thermoelectric performance induced by strong anharmonicity in ternary Li-based chalcogenides |
1017 |
Yuhao Wan et al. High thermoelectric performance in Ti2OX2 (X = F, Cl) MOene: A first-principles study incorporating electron–phonon coupling |
1016 |
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1015 |
Renhui Liu et al. Helicity selection rule of double resonance Raman spectra for monolayer MoSe2 |
1014 |
HTESP (High-throughput electronic structure package): A package for high-throughput ab initio calculations |
1013 |
Jiaqi Zhou, Samuel Poncé, Jean-Christophe Charlier Guidelines for accurate and efficient calculations of mobilities in two-dimensional semiconductors |
1012 |
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From Design to Device: Challenges and Opportunities in Computational Discovery of p -Type Transparent Conductors |
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First-principles modeling of electron-phonon scattering rates in graphene |
1004 |
Qiaolin Yang et al. First-principles investigation of microscopic mechanisms underlying hole mobilities in diamond, silicon, and germanium |
1003 |
Charlsey R. Tomassetti et al. First-principles design of ambient-pressure MgxB₂C₂ and NaxBC superconductors |
1002 |
Charlsey R. Tomassetti et al. First-principles design of ambient-pressure MgxB2C<mm |
1001 |
Binyuan Zhang, Weijiang Gong First-principles calculations on the intrinsic resistivity of realistic metals: a case study of monolayer V2N |
1000 |
Adam D. Smith, Yogesh Vohra, Cheng-Chien Chen First-principles calculation of the superconducting T c |
999 |
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997 |
Zhenbang Dai et al. Excitonic Polarons and Self-Trapped Excitons from First-Principles Exciton-Phonon Couplings |
996 |
Xuehui Jiang et al. Exceptional hardness and superconductivity of sp3 -hybridized boron frameworks encapsulating actinium at ambient pressure |
995 |
Min Hyeok Kim, Byoung Don Kong Ensemble Monte Carlo transport studies of zinc-blende cuprous halides |
994 |
Yuhao Wan et al. Enhancement of thermoelectric transport in surface halogenated Ti2O MOenes via electron–phonon drag effect |
993 |
Jizheng Wu et al. Enhancement of Ising superconductivity in monolayer NbSe2 via surface fluorination |
992 |
Xuefeng Zhang, Shichao Yan, Gang Li Enhanced charge density wave and the cluster Mott state driven by nonlocal electronic correlations in 1T−NbS2 |
991 |
Ze Huang, Zhenyu Zhang, P. Cui Emergence of topological states in a hybrid superconductor of monolayer Pb grown on NbSe2 |
990 |
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989 |
Xiao Zhang, E. Kioupakis Electronic, direct optical, and phonon-assisted optical properties of 4H Si from first principles |
988 |
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987 |
Tushar Sharma et al. Electronic and hole mobilities in wide band-gap monolayer tungsten carbide IEEE Electron Devices Technology and Manufacturing Conference (2024) |
986 |
Shubham Patel, Soumyasree Jena, A. Taraphder Electron-phonon coupling, critical temperatures, and gaps in NbSe2/MoS2</ |
985 |
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984 |
Electron-phonon coupling dictates electron mean free paths and negative thermal diffusion in metals |
983 |
Mohammad Ghanem et al. Electron-phonon coupling and transient dynamics of hot carriers: from interpretation of photoemission experiments to transport simulations in devices |
982 |
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981 |
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980 |
Zhi Li et al. Electron-Phonon Interaction Mediated Gigantic Enhancement of Thermoelectric Power Factor Induced by Topological Phase Transition |
979 |
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978 |
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977 |
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976 |
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975 |
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974 |
Zhen Li, P. Graziosi, N. Neophytou Efficient first-principles electronic transport approach to complex band structure materials: the case of n-type Mg_3Sb_2 |
973 |
Hitoshi Mori et al. Efficient anisotropic Migdal-Eliashberg calculations with an intermediate representation basis and Wannier interpolation |
972 |
Kezhu Wu et al. Effects of scattering mechanisms on thermoelectric properties of bismuth |
971 |
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970 |
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969 |
Jie Peng et al. Effect of electron–phonon coupling on thermal transport in metals: A Monte Carlo approach for solving the coupled electron–phonon Boltzmann transport equation |
968 |
Kai-Cheng Zhang et al. Effect of electron-phonon scattering on the electronic transport of Weyl semimetal WP2 |
967 |
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966 |
Sourav Rudra et al. Dominant Scattering Mechanisms in Limiting the Electron Mobility of Scandium Nitride |
965 |
Jianshi Sun et al. Diverse Responses in Lattice Thermal Conductivity of n-type/p-type Semiconductors Driven by Asymmetric Electron-Phonon Interactions |
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963 |
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962 |
Y.H. Zheng, S.H. Lu, X.J. Hu Direct band gap conversion and transport properties modification of diamond polytypes via strain engineering |
961 |
Designing multicomponent hydrides with potential high Tc superconductivity Proceedings of the National Academy of Sciences of the United States of America (2024) |
960 |
Designing Quaternary Hydrides with Potential High Tc Superconductivity |
959 |
Adolfo E Rosado-Miranda et al. Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials |
958 |
Martí Raya-Moreno, R. Rurali, X. Cartoixà Degradation of the ZT thermoelectric figure of merit in silicon when nanostructuring: From bulk to nanowires |
957 |
Hio-Ieng Un et al. Defect-tolerant electron and defect-sensitive phonon transport in quasi-2D conjugated coordination polymers |
956 |
Yanjun Xu, Zhuan Wang, Yuxiang Weng Defect States and Polarons in Photocatalytic Semiconductors Revealed via Time-Resolved Spectroscopy |
955 |
Yao Luo et al. Data-Driven Compression of Electron-Phonon Interactions |
954 |
DFT Studies of Electronic Properties and Effect of He and Xe Incorporation in Selected Ceramics |
953 |
Yiming Zhang et al. Conventional high-temperature superconductivity in σ -band driven metallized two-dimensional metal borocarbides |
952 |
Binyuan Zhang, Weijiang Gong Controllable Sign Reversal of the Seebeck Coefficient and Thermoelectric Performance of the Janus MoSH Monolayer |
951 |
Oliver Dicks et al. Computationally efficient method for calculating electron-phonon coupling for high-throughput superconductivity search |
950 |
Computationally efficient method for calculating electron-phonon coupling for high-throughput superconductivity screening |
949 |
Kaushik Pal et al. Computational analysis of MOF-functionalized polymeric membranes for wastewater treatment and applications |
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Computational Advances for Energy Conversion: Unleashing the Potential of Thermoelectric Materials |
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946 |
Comparative ab initio study of the electronic structure and thermoelectric properties of tin selenide with electron and hole conductivity |
945 |
Mikhail Petrov, M. Milošević Comment on”Coexistence of superconductivity and topological aspects in beryllenes”, Materials Today Physics 38, 101257 (2023) |
944 |
Christoph Emeis et al. Coherent Phonons and Quasiparticle Renormalization in Semimetals from First Principles |
943 |
Li-Qin Zhou et al. Chemical Rules for Stacked Kagome and Honeycomb Topological Semimetals |
942 |
Yao Wei, Siyu Chen, B. Monserrat Characterization of Spin-Orbit Effects in Superconductors In₅Bi₃ and In₅Sb₃ |
941 |
I-Te Lu et al. Cavity-enhanced superconductivity in MgB2 from first-principles quantum electrodynamics (QEDFT) Proceedings of the National Academy of Sciences of the United States of America (2024) |
940 |
Jingkai Quan, Christian Carbogno, Matthias Scheffler Carrier mobility of strongly anharmonic materials from first principles |
939 |
Can the noble metals (Au, Ag, and Cu) be superconductors? |
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Yubo Qi, Weiyi Gong, Qimin Yan Bridging deep learning force fields and electronic structures with a physics-informed approach |
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Ying Xu et al. Bilayer Borophenes Exhibit Silicon‐Like Bandgap and Carrier Mobilities |
936 |
Gege Du et al. Band order reversal and valley engineering driving to dual high electron and hole mobility in strained monolayer BS |
935 |
Yosuke Goto et al. Band Anisotropy Generates Axis-Dependent Conduction Polarity of Mg3Sb2 and Mg3Bi2 |
934 |
Safdar Iqbal et al. Atomistic insight into the device engineering of inorganic halide perovskite solar cells |
933 |
Hongmei Xie et al. Anomalous superconductivity in Li/F modified two-dimensional molybdenene |
932 |
Zhonghua Yang et al. Anomalous Electron–Phonon Coupling in Cubic Be–X (X = Co, Ni, Rh, Hf) Crystals and Insight from Fermi Surface Nesting and Phonon Bandgap |
931 |
Xianyong Ding et al. Anharmonicity-induced phonon hardening and anomalous thermal transport in ScZn |
930 |
Yu-Lin Han et al. Ambient-pressure superconductivity above 100 K in hole-doped carbon clathrates with superior hardness |
929 |
Yanbin Ma et al. Ambient-pressure hardness and superconductivity in sp2 and s< |
928 |
Shuwei Li, Liang Zhang Accurate first-principles simulation for the response of 2D chemiresistive gas sensors |
927 |
Yang Zhong et al. Accelerating the calculation of electron–phonon coupling strength with machine learning |
926 |
Zhenfeng Ouyang, M. Gao, Zhong-Yi Lu Absence of electron-phonon coupling superconductivity in the bilayer phase of La3Ni2O7 under pressure |
925 |
Sonu Prasad Keshri, G. Guo Ab initio study of orbital-selective superconductivity in γ -BiPd |
924 |
Paul J. Robinson et al. Ab initio polaron wave functions |
923 |
Ab initio model of carrier transport in diamond |
922 |
Ab initio methods for superconductivity |
921 |
Han Huang, S. Kielar, Zhiting Tian Ab initio calculation of nonequilibrium quasiparticle-phonon dynamics in superconductors |
920 |
Soham Mandal, Manish Jain, P. Maiti Ab initio Investigation of Thermal Transport in Insulators: Unveiling the Roles of Phonon Renormalization and Higher-Order Anharmonicity |
919 |
Xiao-Qi Han et al. AI-accelerated discovery of high critical temperature superconductors |
918 |
A momentum-resolved view of polaron formation in materials |
917 |
Gaoxue Wang et al. A first-principles study of structural, elastic, electronic, and transport properties of Cs2Te |
916 |
epiq: An open-source software for the calculation of electron-phonon interaction related properties |
915 |
Antimo Marrazzo et al. Wannier-function software ecosystem for materials simulations |
914 |
Jian-Feng Zhang et al. Vital influence of hydrogen σ antibonding states on high−Tc</ |
913 |
Ra’ul Bomb’in et al. Vibrational dynamics of CO on Pd(111) in and out of thermal equilibrium |
912 |
Yiming Pan, F. Caruso Vibrational Dichroism of Chiral Valley Phonons |
911 |
Valley Hall effect in graphene-like SnX ( X=Si |
910 |
Wenhao Zhang, J. Halet, T. Mori Using orbital sensitivity analysis to pinpoint the role of orbital interactions in thermoelectric power factor |
909 |
Unconventional Charge-Density-Wave Gap in Monolayer NbS2 |
908 |
Qi Zhang et al. Ultrahigh supercurrent density in a two-dimensional topological material |
907 |
Tomer Amit, S. Refaely-Abramson Ultrafast exciton decomposition in transition metal dichalcogenide heterostructures |
906 |
Ultrafast enhancement of electron-phonon coupling via dynamic quantum well states |
905 |
Ultrafast Nonadiabatic Phonon Renormalization in Photoexcited Single-Layer MoS2 |
904 |
Chin-Hsuan Chen et al. Two-gap topological superconductor LaB2 with high Tc = 30 K |
903 |
Kun Xie et al. Tuning superconductivity in highly crystalline Pb1−xBix |
902 |
Tuning and interpretation of electronic transport properties with m*2T |
901 |
Tunable electron–flexural phonon interaction in graphene heterostructures |
900 |
Niraj Bhatt et al. Transition from electron-dominated to phonon-driven thermal transport in tungsten under extreme pressures |
899 |
Topological surface states host superconductivity induced by the bulk condensate in YRuB2 |
898 |
Han Meng et al. Thermoelectric figure-of-merit of metastable crystalline ST12 germanium allotrope |
897 |
Dallin O. Nielsen, Massimo V. Fischetti Thermalization of radiation-induced electrons in wide-bandgap materials: A first-principles approach |
896 |
Ao Wang, Shouju Li, Hua Bao Thermal transport mechanism of electrons and phonons in pristine and defective HfB_2 |
895 |
Theory of superconductivity in thin films under an external electric field |
894 |
Yu-Lin Han et al. Theoretical prediction of superconductivity in two-dimensional hydrogenated metal diboride: M2B2<mml |
893 |
Theoretical and experimental study for compost based on Zircon ZrSiO_4 |
892 |
Shulin Bai et al. Theoretical Prediction of Thermoelectric Performance for Layered LaAgOX (X = S, Se) Materials in Consideration of the Four‐Phonon and Multiple Carrier Scattering Processes |
891 |
Gözde Özbal Sargın et al. The peculiar potential of transition metal dichalcogenides for thermoelectric applications: A perspective on future computational research |
890 |
The effect of single-doping engineering on ferroelectric properties of α-In2Se2X: A density functional theory study |
889 |
Reza Shayanfar et al. The carrier mobility and superconducting properties of monolayer oxygen-terminated functionalized MXene Ti2CO2 |
888 |
Temperature and quantum anharmonic lattice effects on stability and superconductivity in lutetium trihydride |
887 |
Yichao Zhang et al. Tapping the Performance of a Tungsten Disulfide Field-Effect Transistor with Deep Structure Optimization and Theoretical Simulation |
886 |
Liangliang Liu et al. Surface Superconductivity with High Transition Temperatures in Layered CanBn+1Cn+1 Films |
885 |
Lei Peng et al. Suppression of intervalley scattering and enhanced phonon anharmonic interactions in 2D Bi2TeSe2: Crystal-field symmetry and band convergence |
884 |
Superconductivity determined by the S-H framework in CH4-inserted S-H framework hydrides under high pressures |
883 |
Li-Na Wu et al. Superconductivity and charge density wave in transition metal chalcogenides: A first principle study Physica. E, Low-Dimensional systems and nanostructures (2023) |
882 |
Xin-Wei Yi et al. Superconducting, Topological, and Transport Properties of Kagome Metals CsTi3Bi5 and RbTi3Bi5 |
881 |
Hao Liu et al. Superconducting two-dimensional penta materials |
880 |
Tiege Zhou Substantial evidence for new electron pairing mechanism in high temperature superconductors |
879 |
Shen Han et al. Strong phonon softening and avoided crossing in aliovalence-doped heavy-band thermoelectrics |
878 |
Strong electron-phonon coupling and phonon-induced superconductivity in tetragonal C3N< |
877 |
Strong Electron–Phonon and Phonon–Phonon Interactions Lead to High Thermoelectric Performances in Lead Phosphorene via Symmetry Breaking |
876 |
Stabilizing a hydrogen-rich superconductor at 1 GPa by charge transfer modulated virtual high-pressure effect |
875 |
Yujie Xia et al. Spin-Orbit-Coupling-Induced Topological Transition and Anomalously Strong Intervalley Scattering in Two-Dimensional Bismuth Allotropes with Enhanced Thermoelectric Performances |
874 |
Pu Miao et al. Simultaneous optimization of the electrical and thermal transport properties of LuNiSb via aliovalent doping |
873 |
Shi‐ming Liu et al. Significant reduction of the lattice thermal conductivity in antifluorites via a split-anion approach |
872 |
Significant phonon drag effect in wide band gap GaN and AlN |
871 |
Semiclassical electron and phonon transport from first principles: application to layered thermoelectrics |
870 |
Search for ambient superconductivity in the Lu-N-H system |
869 |
Ziang Jing et al. Screening of 225 Double-Transition-Metal o-MXenes for Superior Thermoelectric Property at Room Temperature from First-Principles Electron and Phonon Calculations |
868 |
Role of dimensionality and size in controlling the drag Seebeck coefficient of doped silicon nanostructures: A fundamental understanding |
867 |
Sourav Rudra et al. Reversal of Band-Ordering Leads to High Hole Mobility in Strained p-type Scandium Nitride |
866 |
Shengnan Dai et al. Revealing the decisive factors of the lattice thermal conductivity reduction by electron-phonon interactions in half-Heusler semiconductors |
865 |
Dabao Zha et al. Refined phase diagram and kagome-lattice superconductivity in Mg-Si system |
864 |
Yiming Zhang et al. Realizing high-temperature superconductivity in borophene with Dirac states assembled by kagome and honeycomb boron layers |
863 |
Guijian Pang et al. Quantifying the lattice and electronic thermal conductivity of arsenic from first principles |
862 |
Hiroshi Uchiyama et al. Quantifying doping-dependent electron-phonon scattering rates in silicon by inelastic x-ray scattering and first-principles lattice dynamics |
861 |
Yunhao Li et al. Quantifying Proximity-Induced Superconductivity from First-Principles Calculations |
860 |
Preempted phonon-mediated superconductivity in the infinite-layer nickelates |
859 |
Yanfeng Ge et al. Prediction of nodal-line fermion and phonon-mediated superconductivity in bilayer α-borophene |
858 |
Jarod Worden, Michael R. von Spakovsky, C. Hin Predicting Coupled Electron and Phonon Transport Using Steepest-Entropy-Ascent Quantum Thermodynamics |
857 |
Matthew Jankousky, Emily M. Garrity, Vladan Stevanović Polymorphism of group-IV carbides: Structures, (meta)stability, electronic, and transport properties |
856 |
Polarons in two-dimensional atomic crystals |
855 |
Christoph Emeis et al. Plasmonic polarons induced by alkali-atom deposition in hafnium disulfide 1T−HfS2 |
854 |
Christoph Emeis et al. Plasmonic polarons induced by alkali-atom deposition in hafnium disulfide (1T-HfS₂) |
853 |
Plasmon Excitations across the Charge-Density-Wave Transition in Single-Layer TiSe2 |
852 |
Nurul Ahad Akil Phonons, magnons and lattice thermal transport in 2H-NbSe2: A first principles study |
851 |
Yong He et al. Phonon-mediated superconductivity in the metal-bonded perovskite Al4H up to 54 K under ambient pressure |
850 |
Phonon-mediated superconductivity in ternary silicides X4CoSi ( <mml:m |
849 |
Chong Wang et al. Phonon-mediated s -wave superconductivity in the kagome metal CsV3Sb</mml |
848 |
Phonon-assisted optical absorption of SiC polytypes from first principles |
847 |
Chong Wang et al. Phonon-Mediated S-Wave Superconductivity in the Kagome Metal CsV₃Sb₅ under Pressure |
846 |
Jonathan Backman, Youseung Lee, M. Luisier Phonon-Limited Transport in 2D Materials: A Unified Approach for ab initio Mobility and Current Calculations |
845 |
Phonon-Driven Femtosecond Dynamics of Excitons in Crystalline Pentacene from First Principles |
844 |
Sen Liu et al. Phonon thermal transport properties of XB_2 (X = Mg and Al) compounds: considering quantum confinement and electron–phonon interaction |
843 |
Phonon thermal transport and its tunability in GaN for near-junction thermal management of electronics: A review |
842 |
Antonios M. Alvertis et al. Phonon screening and dissociation of excitons at finite temperatures from first principles Proceedings of the National Academy of Sciences of the United States of America (2023) |
841 |
Shichang Yao et al. Origin of the large differences in high-pressure stability and superconductivity between ThH9 and ThH18 |
840 |
Origin of the high electrical conductivity of the delafossite metal PdCoO2 |
839 |
Gege Du, Chunhui Li, Long Cheng Origin of contrasting trends of intrinsic electron mobility with tensile strain in hexagonal MoS2 and triangular <mml:math xmlns:mml=”http://www.w3.org/1 |
838 |
Optical Absorption in Indirect Semiconductor to Semimetal PtSe_{2} Arises from Direct Transitions |
837 |
On the excitonic effects of the 1T and 1OT phases of PdS2, PdSe2, and PdSSe monolayers |
836 |
On the determination of the thermal shock parameter of MAX phases: a combined experimental-computational study |
835 |
Nonlinear Hall effect and potential Ising superconductivity in monolayer MXene heterostructure of T−Mo2C/</ |
834 |
Amit Kumar Prasad et al. Nonequilibrium Phonon Dynamics and Its Impact on the Thermal Conductivity of the Benchmark Thermoelectric Material SnSe |
833 |
Shuo Zhao, Mingfeng Zhu, Yisong Zheng Modified Ziman Resistivity Formula Valid for the Case of the Fermi Level Near a Band Edge |
832 |
Jian-Feng Zhang et al. Microscopic resolution of superconducting electrons in ultrahigh-pressed hydrogen sulfide |
831 |
Yong He et al. Metal-Bonded Perovskite Lead Hydride as a Phonon-Mediated Superconductor up to 46 K under Atmospheric Pressure |
830 |
Maximally localized exciton Wannier functions for solids |
829 |
Jiaxing Qu et al. Leveraging Language Representation for Material Recommendation, Ranking, and Exploration |
828 |
Nurul Ahad Akil Length dependent thermal conductivity of silicon and copper nanowire: a molecular dynamics study |
827 |
Xie Zuo et al. Layer number dependent spin Hall effects in transition metal monocarbides M2C (<mml |
826 |
Yongchao Rao et al. Large variation of electron-phonon coupling and thermal transport in two-dimensional semimetal triphosphides by modulation doping |
825 |
Yongbo Shi et al. Investigation of the mechanical and transport properties of InGeX3 (X = S, Se and Te) monolayers using density functional theory and machine learning |
824 |
Janak Tiwari, Tianli Feng Intrinsic thermal conductivity of ZrC from low to ultrahigh temperatures: A critical revisit |
823 |
Intrinsic carrier mobility limits in the transparent bipolar semiconductor CuInO2 |
822 |
Zishen Wang et al. Interplay of the charge density wave transition with topological and superconducting properties |
821 |
Chao Lian Interplay of charge ordering and superconductivity in two-dimensional 2H group V transition-metal dichalcogenides |
820 |
Kun Xie et al. Interplay between the atomic structures and superconductivity of two-monolayer Pb films |
819 |
Daohong Chen et al. Insights into electronic properties of strained two-dimensional semiconductors by out-of-plane bending |
818 |
Xueqing Wan et al. Insights into Photogenerated Carrier Dynamics and Overall Water Splitting of the CrS3/GeSe Heterostructure |
817 |
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816 |
In and Out-of-Equilibrium Ab Initio Theory of Electrons and Phonons |
815 |
Gautam Sharma, M. Sajjad, Nirpendra Singh Impressive Electronic and Thermal Transports in CsK2Sb: A Thermoelectric Perspective |
814 |
Tianchun Wang et al. Importance of self-consistency in first-principles Eliashberg calculation for superconducting transition temperature |
813 |
Hari Paudyal, Michael E Flatté, Durga Paudyal Implications of the electron-phonon coupling in CuPb9(PO4)</mml:mrow |
812 |
Impact of oxygen vacancies on thermal and electronic transport of donor-doped CaMnO3-δ |
811 |
Hwijong Lee et al. High‐Pressure Synthesis and Thermal Conductivity of Semimetallic θ‐Tantalum Nitride |
810 |
Shaohan Li et al. High-throughput study and machine learning on MAX and MAB phases: new materials and fingerprints of superior lattice thermal conductivity |
809 |
High-pressure effect on the superconductivity of NaAlGe and pressure-induced structural phase transition |
808 |
Chunhua Li et al. High-frequency phonons drive large phonon-drag thermopower in semiconductors at high carrier density |
807 |
Sonu Prasad Keshri, S. Pati, A. Medhi HfSe2: Unraveling the microscopic reason for experimental low mobility |
806 |
Yanfeng Ge et al. Graphite–hexagonal diamond hybrid with diverse properties |
805 |
Yue Hu et al. GiftBTE: an efficient deterministic solver for non-gray phonon Boltzmann transport equation |
804 |
Linyuan Cheng et al. Giant Thermoelectric Effect in Rare Earth Sulfoiodides |
803 |
Liangliang Liu et al. Generic rules for achieving room-temperature superconductivity in ternary hydrides with clathrate structures |
802 |
Shiru Song et al. General rules and applications for screening high phonon-limited mobility in two-dimensional semiconductors |
801 |
Full-bandwidth anisotropic Migdal-Eliashberg theory and its application to superhydrides |
800 |
First-principles-aided evaluation of the Nernst coefficient beyond the constant relaxation time approximation |
799 |
Senwei Liu, Xiaoliang Zhang, Dawei Tang First-principles study of the thermal transport properties of superconducting NbN |
798 |
Benoit Van Troeye et al. First-principles investigation of thickness-dependent electrical resistivity for low-dimensional interconnects |
797 |
Aiqin Yang et al. First-principles investigation of the origin of superconductivity in TlBi2 |
796 |
Božidar N. Šoškić et al. First-principles exploration of superconductivity in intercalated bilayer borophene phases |
795 |
Yongbo Shi et al. First-principles calculations of improving carrier mobility for β-CsPbI3 |
794 |
Ao Wang et al. First-principles based computational framework for the thermal conductivity of complex intermetallics: The case study of MgZn2 and Mg4Zn7 |
793 |
Dallin O. Nielsen et al. First-principles approach to closing the 10–100 eV gap for charge-carrier thermalization in semiconductors |
792 |
First-Principles Study on the Thermoelectric Properties of Sr2Si and Sr2Ge |
791 |
First-Principles Modelling of the Properties of Graphene Modified with Fluorine Atoms |
790 |
Huiwen Zhang, Mingfeng Zhu, Yisong Zheng First principles study on the intrinsic resistivity of rectangular Ti2B2 and |
789 |
Chong Tian et al. Few‐Hydrogen Metal‐Bonded Perovskite Superconductor MgHCu3 with a Critical Temperature of 42 K under Atmospheric Pressure |
788 |
Yong He, Jun-jie Shi Few-Hydrogen High-Tc Superconductivity in (Be4)2H Nanosuperlattice with Promising Ductility under Ambient Pressure |
787 |
Feasible Route to High-Temperature Ambient-Pressure Hydride Superconductivity |
786 |
Tingting Zhang et al. Extremely Low Lattice Thermal Conductivity Leading to Superior Thermoelectric Performance in Cu4TiSe4 |
785 |
Riccardo Travaglino, A. Zaccone Extended analytical BCS theory of superconductivity in thin films |
784 |
Exciton-phonon Coupling Controls Exciton-polaron Formation and Hot Carrier Relaxation in Rigid Dion-Jacobson Type Two-Dimensional Perovskites |
783 |
Wei-Hua Xiao et al. Exceptionally high hole mobilities in monolayer group-IV monochalcogenides GeTe and SnTe |
782 |
Evidence for Pseudogap Phase in Cerium Superhydrides: CeH₁₀ and CeH₉ |
781 |
Jiaqi Zhou, Samuel Poncé, Jean-Christophe Charlier Enhanced spin Hall ratio in two-dimensional semiconductors |
780 |
Enhanced out-of-plane piezoelectricity and carrier mobility in Janus γ- Sn2XY ( X /Y= S, Se, Te) monolayers: A first-principles prediction |
779 |
Xiangyu Zeng et al. Enhanced carrier transport in CsxSnBry perovskite by reducing electron-phonon coupling under compressive strain |
778 |
Enhanced Surface Superconductivity of Niobium by Zirconium Doping |
777 |
Jiaqi Zhou, SamuelPoncé, Jean-ChristopheCharlier Enhanced Spin Hall Ratio in Two-Dimensional III-V Semiconductors |
776 |
Xu Duan, Shi Liu Emergent superconductivity in doped ferroelectric hafnia |
775 |
Tiantian Luo et al. Emergent charge density wave featuring quasi-one-dimensional chains in Ta-intercalated bilayer 2H−TaS2</mml |
774 |
Hyungjun Lee et al. Electron–phonon physics from first principles using the EPW code |
773 |
Ilias. Serifi et al. Electron–Phonon Superconductivity in Boron‐Based Chalcogenide (X= S, Se) Monolayers |
772 |
Sheng Jiang et al. Electronic, Optical, Mechanical, and Electronic Transport Properties of SrCu2O2: A First-Principles Study |
771 |
Electronic transport computation in thermoelectric materials: from ab initio scattering rates to nanostructures |
770 |
Electronic structure of nitrogen-doped lutetium hydrides |
769 |
Electronic structure and vibrational stability of copper-substituted lead apatite LK-99 |
768 |
Xiao Zhang, E. Kioupakis Electronic and optical properties of 4H Si from first principles |
767 |
Zirui He, An-An Sun, Shangpeng Gao Electron-phonon scattering and stacking sequences in hexagonal boron nitride: An ab initio study |
766 |
Álvaro Adrián Carrasco Álvarez et al. Electron-phonon mediated superconductivity in La6N<mml:mi mathvariant= |
765 |
Zhenglu Li et al. Electron-phonon coupling from GW perturbation theory: Practical workflow combining BerkeleyGW, ABINIT, and EPW |
764 |
Electron-hole dichotomy and enhancement of the thermoelectric power factor by electron-hole-asymmetric relaxation time: A model study on a two-valley system with strong intervalley scattering |
763 |
Ashis Kundu et al. Electron-Induced Nonmonotonic Pressure Dependence of the Lattice Thermal Conductivity of θ-TaN |
762 |
Electron transport and scattering mechanisms in ferromagnetic monolayer Fe_3GeTe_2 |
761 |
Effect of intense laser irradiation on the thermal transport properties of metals |
760 |
Yiming Zhang et al. Effect of Nb-X ionic bonding on the superconductivity of the two-dimensional Nb2SXC (X=O, S, Se, F, Cl, and Br) |
759 |
Chendi Xie et al. Dynamical approach to realize room-temperature superconductivity in LaH10 |
758 |
Dynamical Phonons Following Electron Relaxation Stages in Photoexcited Graphene |
757 |
Yueqing Chang et al. Downfolding from ab initio to interacting model Hamiltonians: comprehensive analysis and benchmarking of the DFT+cRPA approach |
756 |
Discovery of multi-anion antiperovskites X6NFSn2 (X = Ca, Sr) as promising thermoelectric materials by computational screening |
755 |
Xiaojun Xiang et al. Discovery of Metastable W3P Single Crystals with High Hardness and Superconductivity |
754 |
Direct Measurement of Ballistic and Diffusive Electron Transport in Gold |
753 |
DFTBephy: A DFTB-based approach for electron–phonon coupling calculations |
752 |
Yinghong Yu et al. Cubic C20: An intrinsic superconducting carbon allotrope |
751 |
Fengmiao Li et al. Critical Role of Disorder for Superconductivity in the Series of Epitaxial Ti(O,N) Films |
750 |
Corrigendum and extension to “First principles investigation of thermal properties of thorium mononitride” [J. Alloy. Compd. 879 (2021) 160467] |
749 |
Cunyuan Jiang et al. Correlation between optical phonon softening and superconducting Tc in YBa2Cu3Ox within d-wave Eliashberg theory |
748 |
Xue Chen et al. Control of Raman Scattering Quantum Interference Pathways in Graphene |
747 |
Xiang-hao Cui, Yongqing Cai Computational Study of Strong Phonon Softening and Electron–Phonon Interaction in Doped Monolayer Tellurene: Implications for Neuromorphic Applications |
746 |
Competing charge-density wave instabilities in the kagome metal ScV6Sn6 |
745 |
Zheyong Fan et al. Combining linear-scaling quantum transport and machine-learning molecular dynamics to study thermal and electronic transports in complex materials |
744 |
Jingyu Li et al. Coexistence of superconductivity and topological aspects in beryllenes |
743 |
Tamaghna Chowdhury et al. Brightening of dark excitons in WS2 via tensile strain-induced excitonic valley convergence |
742 |
Zhonghua Yang et al. Anti-Bonding Mediated Record Low and Comparable-to-Air Lattice Thermal Conductivity of Two Metallic Crystals |
741 |
Anomalous lattice thermal conductivity driven by all-scale electron-phonon scattering in bulk semiconductors |
740 |
Shi‐ming Liu et al. Anomalous high ZT above 2.2 in light element dominated compound Li<mml:math xmlns:mml=”http://www.w3.org/1998/Math/MathML” displa |
739 |
Anisotropy and isotope effect in superconducting solid hydrogen |
738 |
Anharmonic electron-phonon coupling in ultrasoft and locally disordered perovskites |
737 |
Shao-Fei Wang, Jun-rong Zhang, Fangwei Wang Acoustic phonon softening enhances phonon scattering in Zintl-phase II-I-V compounds |
736 |
Yang Zhong et al. Accelerating the calculation of electron-phonon coupling by machine learning methods |
735 |
Simone di Cataldo et al. Absence of electron-phonon-mediated superconductivity in hydrogen-intercalated nickelates |
734 |
Arne Schobert et al. Ab initio electron-lattice downfolding: Potential energy landscapes, anharmonicity, and molecular dynamics in charge density wave materials |
733 |
Ab initio calculation of carrier mobility in semiconductors including ionized-impurity scattering |
732 |
A first-principles approach to closing the”10-100 eV gap”for charge-carrier thermalization in semiconductors |
731 |
σh symmetry and electron-phonon interaction in two-dimensional crystalline systems |
730 |
Ting-Ting Gai et al. Van Hove singularity induced phonon-mediated superconductivity above 77 K in hole-doped SrB3C3</mml:m |
729 |
Unified ab initio description of Fröhlich electron-phonon interactions in two-dimensional and three-dimensional materials |
728 |
Jon Lafuente-Bartolome et al. Unified Approach to Polarons and Phonon-Induced Band Structure Renormalization |
727 |
Rui-Zi Hu et al. Ultralow lattice thermal conductivity and high thermoelectric performance of the WS2/WTe2 van der Waals superlattice |
726 |
Ultrahigh Electron Thermal Conductivity in T‐Graphene, Biphenylene, and Net‐Graphene |
725 |
Ultrafast dynamics of electrons and phonons: from the two-temperature model to the time-dependent Boltzmann equation |
724 |
Peng-Fei Liu et al. Two-gap superconductivity in a Janus MoSH monolayer |
723 |
Two-dimensional stanene: Electron-phonon interaction |
722 |
Zhenglu Li, S. Louie Two-Gap Superconductivity and the Decisive Role of Rare-Earth d Electrons in Infinite-Layer Nickelates |
721 |
Chenmu Zhang et al. Two-Dimensional Semiconductors with High Intrinsic Carrier Mobility at Room Temperature |
720 |
Siyun Qi et al. Tunable goniopolarity of graphenelike boron layers in metal diborides |
719 |
Transverse Peierls Transition |
718 |
Transport coefficients of layered TiS3 |
717 |
Antimo Marrazzo Thermal robustness of the quantum spin Hall phase in monolayer WTe2 |
716 |
Theory of Nb-Zr Alloy Superconductivity and First Experimental Demonstration for Superconducting Radio-Frequency Cavity Applications |
715 |
The effects of electron-phonon coupling on the phonon transport properties of the Weyl semimetals NbAs and TaAs: A comparative study |
714 |
The effect of strain and pressure on the electron-phonon coupling and superconductivity in MgB2—Benchmark of theoretical methodologies and outlook for nanostructure design |
713 |
Matthew R. Carbone et al. The Generalized Green’s function Cluster Expansion: A Python package for simulating polarons |
712 |
Qiwen Jiang et al. Ternary superconducting hydrides stabilized via Th and Ce elements at mild pressures |
711 |
Ternary pentagonal BNSi monolayer: Two-dimensional structure with potentially high carrier mobility and strong excitonic effects for photocatalytic applications |
710 |
Tianhao Fei et al. Temperature-dependent infrared dielectric functions and hybrid phonon-polaritons in wurtzite GaN: A spectroscopic ellipsometry and multiscale simulation study |
709 |
Xiaole Qiu et al. Superconductivity in monolayer Ba2N electride: First-principles study |
708 |
Wenfeng Dong et al. Superconductivity and topological aspects of two-dimensional transition-metal monohalides |
707 |
Superconducting Gap of Pressure Stabilized (Al0.5Zr0.5)H3 from Ab Initio Anisotropic Migdal–Eliashberg Theory |
706 |
Kyeong-Youn Song et al. Study on CoAl intermetallic compound films for advanced interconnect applications: Experimental and DFT investigations |
705 |
Xianqi Song et al. Stress-induced high-Tc superconductivity in solid molecular hydrogen Proceedings of the National Academy of Sciences of the United States of America (2022) |
704 |
Shulin Bai et al. Stacking pattern induced high ZT in monolayer SnSSe and bilayer SnXY (X/Y= S, Se) materials with strong enhancement of phonon scattering |
703 |
Ye Su et al. Stability and phonon-limited mobility for CsSnI3 and CsPbI3 |
702 |
Yu Dai et al. Simultaneous enhancement in electrical conductivity and Seebeck coefficient by single- to double-valley transition in a Dirac-like band |
701 |
Significant Increase of Electron Thermal Conductivity in Dirac Semimetal Beryllonitrene by Doping Beyond Van Hove Singularity |
700 |
Ao Wang et al. Roles of electrons on the thermal transport of 2D metallic MXenes |
699 |
Chengliang Xia, Yue Chen Role of long-range interaction on the electrical transport and electron–phonon scattering in thermoelectric Mg2Si |
698 |
Roadmap on electronic structure codes in the exascale era Modelling and Simulation in Materials Science and Engineering (2022) |
697 |
Quantum lattice dynamics and their importance in ternary superhydride clathrates |
696 |
Quantum lattice dynamics and their importance in superhydride clathrates |
695 |
Properties and challenges of hot-phonon physics in metals: MgB2 and other compounds |
694 |
Xinyu Zhang et al. Pressure-dependent thermal conductivity in Al, W, and Pt: Role of electrons and phonons |
693 |
Tuo Hu et al. Prediction of new phase 2D C2h group III monochalcogenides with direct bandgaps and highly anisotropic carrier mobilities |
692 |
Zherui Han et al. Prediction of hot zone-center optical phonons in laser-irradiated molybdenum disulfide with a semiconductor multitemperature model |
691 |
Prediction of ferroelectric superconductors with reversible superconducting diode effect |
690 |
Raja Sen, N. Vast, J. Sjakste Photoexcited electron dynamics and energy loss rate in silicon: temperature dependence and main scattering channels |
689 |
Chenmu Zhang, Yuanyue Liu Phonon-limited transport of two-dimensional semiconductors: Quadrupole scattering and free carrier screening |
688 |
Tianqi Deng, Deren Yang, X. Pi Phonon-limited carrier mobilities and Hall factors in 4H -SiC from first principles |
687 |
Phonon Self-Energy Corrections: To Screen, or Not to Screen |
686 |
Jinyang Xi et al. Perspective of the electron–phonon interaction on the electrical transport in thermoelectric/electronic materials |
685 |
Out-of-plane thermoelectric performance for p -doped GeSe |
684 |
Matthias A. Daeumer et al. Orientation-Dependent Transport Properties of Cu3Sn |
683 |
Observation of superconductivity and its enhancement at the charge density wave critical point in LaAgSb2 |
682 |
Siyu Chen, Pascal T. Salzbrenner, B. Monserrat Nonuniform grids for Brillouin zone integration and interpolation |
681 |
Lanting Feng et al. Nontrivial effect of out-of-plane acoustic phonon mode on limiting room temperature conductivity of ABA-stacked trilayer graphene |
680 |
Haowei Xu, Hua Wang, Ju Li Nonlinear nonreciprocal photocurrents under phonon dressing |
679 |
Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene |
678 |
Multitemperature Modeling of Thermal Transport across a Au–GaN Interface from Ab Initio Calculations |
677 |
Modeling Terahertz Properties of Vanadium Dioxide by Ab Initio Computational Scheme and its Experimental Verification |
676 |
Junsoo Park, Zhigang Wu, J. Lawson Mixed-Domain Charge Transport in the S–Se System from First-Principles |
675 |
Gautam Sharma, K. C. Bhamu Material : Impressive Transport Properties of Be 2 C Monolayer |
674 |
Machine-learning approach for discovery of conventional superconductors |
673 |
Md. Golam Rosul et al. Low-resistance contact in MoSe2 -based solid-state thermionic devices |
672 |
Utkarsh Singh et al. Low lattice thermal conductivity in alkali metal based Heusler alloys |
671 |
Alexander G. Squires et al. Low electronic conductivity of Li7La3Zr2<mml:mi mathvaria |
670 |
Samuel Poncé et al. Long-range electrostatic contribution to electron-phonon couplings and mobilities of two-dimensional and bulk materials |
669 |
Matthias Pickem, Emanuele Maggio, J. M. Tomczak LinReTraCe: The linear response transport centre |
668 |
Tianxin Zhang et al. Lanthanum-doped SrTiO3 theoretical thermoelectric properties |
667 |
Kohn anomalies in topological insulator thin films: first-principles study |
666 |
Hsiu-Chi Pai, Yuh‐Renn Wu Investigating the high field transport properties of Janus WSSe and MoSSe by DFT analysis and Monte Carlo simulations |
665 |
Chunhui Li, Long Cheng Intrinsic electron transport in monolayer MoSi2N4 and WSi2N4 |
664 |
Chao Lian et al. Intrinsic and doping-enhanced superconductivity in monolayer 1H−TaS2 : Critical role of charge ord |
663 |
Shao-Fei Wang et al. Intrinsic Ultralow Lattice Thermal Conductivity in the Full-Heusler Compound Ba2AgSb |
662 |
Nick Pant et al. Increasing the mobility and power-electronics figure of merit of AlGaN with atomically thin AlN/GaN digital-alloy superlattices |
661 |
Inclusion of infrared dielectric screening in the GW method from polaron energies to charge mobilities |
660 |
Xu Huang, Zhixiong Guo, Jinyang Xi Impact of electron-phonon interactions on phonon transport in diamond and c-BN |
659 |
Hot electron relaxation and energy loss rate in silicon: Temperature dependence and main scattering channels |
658 |
Wen-Hao Mao, Manyu Shang, J. Lü Hot and cold phonons in electrically biased graphene |
657 |
Zherui Han et al. Hot Zone-center Optical Phonons in Laser Irradiated Molybdenum Disulfide |
656 |
Xuelei Sui et al. Hole doping dependent electronic instability and electron-phonon coupling in infinite-layer nickelates |
655 |
Zheng Shu et al. High-performance Thermoelectric Monolayer γ-GeSe and its Group-IV Monochalcogenide Isostructural Family |
654 |
High-field charge transport and noise in p -Si from first principles |
653 |
High-Throughput DFT-Based Discovery of Next Generation Two-Dimensional (2D) Superconductors |
652 |
High thermoelectric performances in PbP monolayers considering full electron-phonon coupling and four-phonon scattering processes |
651 |
Jungwoo Shin et al. High ambipolar mobility in cubic boron arsenide |
650 |
Zizhen Zhou et al. Giant phonon anomaly in topological nodal-line semimetals |
649 |
Changpeng Lin, Samuel Poncé, N. Marzari General invariance and equilibrium conditions for lattice dynamics in 1D, 2D, and 3D materials |
648 |
Jialin Ji et al. Functional-Unit-Based Material Design: Ultralow Thermal Conductivity in Thermoelectrics with Linear Triatomic Resonant Bonds |
647 |
Avinash Kumar, U. Singisetti Full-band Monte Carlo simulation of two-dimensional electron gas in (AlxGa1−x)2O3/Ga2O3 heterostructures |
646 |
Francesco Macheda, P. Barone, F. Mauri Fröhlich electron-phonon interaction and LO-TO splitting in doped semiconductors |
645 |
First-principles study on the superconductivity of doped zirconium diborides |
644 |
Jinlong Ma, Wu Li, Xiaobing Luo First-principles study of the drift and Hall mobilities of perovskite BaSnO3 |
643 |
Hu Sun, Zhuo Xu, Di Zhang First-principles calculations to investigate Doping Effects on Electrical Conductivity and Interfacial Contact Resistance of TiO2 |
642 |
Jianqi Huang et al. First-principles calculations of double resonance Raman spectra for monolayer MoTe2 |
641 |
First-principles calculation of the electronic structure, elastic and optical properties of LiSn2N3 nitrogen base stable perovskite semiconductor material |
640 |
Tobias Esswein, N. Spaldin First-principles calculation of electron-phonon coupling in doped KTaO3 |
639 |
First-principles analysis of intravalley and intervalley electron-phonon scattering in thermoelectric materials |
638 |
jie lu et al. First-principle study on electronic structures and optical properties of Au-Cu intermetallic compounds |
637 |
Shangyong Huang, S. Ning, Rui Xiong First-Principles Study of Silicon–Tin Alloys as a High-Temperature Thermoelectric Material |
636 |
Zhaoyi Zhu et al. First-Principle Calculation of Tin Oxide for Resistive-Wall Amplifier |
635 |
Fermi surface topology and anisotropic superconducting gap in electron-doped hydride compounds at high pressure |
634 |
Far-from-Equilibrium Electron-Phonon Interactions in Optically Excited Graphene |
633 |
Jaesung Jo et al. Experimental and theoretical study of hole scattering in RF sputtered p-type Cu2O thin films |
632 |
Shiru Song et al. Exceptionally high phonon-limited carrier mobility in BX (X = P, As, Sb) monolayers |
631 |
Exceptionally Enhanced Thermal Conductivity of Aluminum Driven by Extreme Pressures: A First-Principles Study |
630 |
Excellent Thermoelectric Performance of the Metal Sulfide CuTaS3 |
629 |
Ville J. Härkönen Exact factorization of the many-body Green’s function theory of electrons and nuclei |
628 |
Enhancement of superconductivity and its relation to lattice expansion in InxTe <mml:math xmlns:mml=”http://www.w3.org/1998/Math/MathML” |
627 |
Xu Yan et al. Enhanced superconductivity in CuH2 monolayers |
626 |
Zhen Zhang et al. Emergent topological superconductivity in Bi-intercalated van der Waals layered SiTe2 |
625 |
Electronic effects on the radiation damage in high-entropy alloys |
624 |
Bhupesh Bishnoi Electronic Transport in Electron-Phonon Gas of Two-Dimensional Holstein’s Organic Molecular-Crystal: Non-equilibrium Green’s Function Formalism&Boltzmann Transport Framework (A Generalized Mathematical Solution) |
623 |
Francesco Macheda et al. Electron-phonon interaction and phonon frequencies in two-dimensional doped semiconductors |
622 |
Yang Sun et al. Electron-phonon coupling strength from ab initio frozen-phonon approach |
621 |
Electron-phonon coupling and spin fluctuations in the Ising superconductor NbSe_2 |
620 |
Francesco Macheda, P. Barone, F. Mauri Electron-Phonon Interaction and Longitudinal-Transverse Phonon Splitting in Doped Semiconductors |
619 |
Jianchun Sun et al. Electron Mean-free-path Filtering in n-type SnSe for Improved Thermoelectric Performance at Room Temperature |
618 |
Efficient hot-carrier dynamics in near-infrared photocatalytic metals |
617 |
Effects of anisotropy and disorder on the superconducting properties of niobium |
616 |
Kai-Cheng Zhang et al. Effect of quartic anharmonicity on the carrier transport of cubic halide perovskites CsSnI3 and CsP |
615 |
Md. Golam Rosul, M. Zebarjadi Effect of Electron–Phonon Interaction and Ionized Impurity Scattering on the Room-Temperature Thermoelectric Properties of Bulk MoSe2 |
614 |
Dynamical renormalization of electron-phonon coupling in conventional superconductors |
613 |
Chenmu Zhang et al. Discovering 2D Semiconductors with High Intrinsic Carrier Mobility at Room Temperature |
612 |
Direct View of Phonon Dynamics in Atomically Thin MoS2 |
611 |
Kamal Choudhary, K. Garrity Designing high-TC superconductors with BCS-inspired screening, density functional theory, and deep-learning |
610 |
Zishen Wang et al. Decisive role of electron-phonon coupling for phonon and electron instabilities in transition metal dichalcogenides |
609 |
Leiqiang Li et al. Converting a Monolayered NbSe2 into an Ising Superconductor with Nontrivial Band Topology via Physical or Chemical Pressuring |
608 |
Jiayu Liang et al. Computational Study of the C2P4 Monolayer as a Stable Two-Dimensional Material with High Carrier Mobility: Implications for Nanoelectronic Devices |
607 |
Comparison of the electronic transport of ThN against ThC |
606 |
Chunhua Li et al. Colossal phonon drag enhanced thermopower in lightly doped diamond |
605 |
Collective plasmonic modes in the chiral multifold fermionic material CoSi |
604 |
Zhilong Yang, Haijun Zhang Coexistence of pressure-induced superconductivity and topological surface states in elementary substance Sb |
603 |
Chong Wang et al. Charge density wave and superconductivity in the kagome metal CsV3Sb5 around a |
602 |
Yaokun Ye et al. Calculating electron-phonon coupling matrix: Theory introduction, code development and preliminary application |
601 |
Big Data in a Nano World: A Review on Computational, Data-Driven Design of Nanomaterials Structures, Properties, and Synthesis |
600 |
Bidirectional phonon emission in two-dimensional heterostructures triggered by ultrafast charge transfer |
599 |
Zhao-Hua Liu, Biao Wang Biaxial strain engineering on the superconducting properties of MgB2 thin film |
598 |
Zhao-Hua Liu, Biao Wang Biaxial strain engineering on the superconducting properties of MgB2 monolayer |
597 |
Romain Claes et al. Assessing the quality of relaxation-time approximations with fully automated computations of phonon-limited mobilities |
596 |
Yan Cao et al. Application of Materials Genome Methods in Thermoelectrics |
595 |
Shouhang Li et al. Anomalously Isotropic Electron Transport and Weak Electron-Phonon Interactions in Hexagonal Noble Metals |
594 |
Ra’ul Bomb’in et al. Anomalous transient blueshift in the internal stretch mode of CO/Pd(111) |
593 |
Zizhen Zhou et al. Anomalous Thermal Transport Driven by Electron–Phonon Coupling in 2D Semiconductor h‐BP |
592 |
Anisotropic-strain-enhanced hole mobility in GaN by lattice matching to ZnGeN₂ and MgSiN₂ |
591 |
Anisotropic Phononic and Electronic Thermal Transport in BeN4 |
590 |
Anharmonic lattice dynamics via the special displacement method |
589 |
Ye Su et al. An investigation on carrier transport behavior of tetragonal halide perovskite: First-principles calculation |
588 |
Mingzhong Wang et al. All-inorganic quantum dot light-emitting diodes realizing a synergistically regulated carrier mobility dynamic equilibrium mechanism |
587 |
Yujia Pang et al. Accurate assignment of double resonant Raman bands in Janus MoSSe monolayer from first-principles calculations |
586 |
Samuel Poncé et al. Accurate Prediction of Hall Mobilities in Two-Dimensional Materials through Gauge-Covariant Quadrupolar Contributions |
585 |
Shiru Song, Jihui Yang, X. Gong Abnormally weak intervalley electron scattering in MoS2 monolayer: insights from the matching between electron and phonon bands |
584 |
Xiao Zhang et al. Ab initio theory of free-carrier absorption in semiconductors |
583 |
Ab initio study of Li-Mg-B superconductors |
582 |
Ab initio structural optimization at finite temperatures based on anharmonic phonon theory: Application to the structural phase transitions of BaTiO3 |
581 |
Jon Lafuente-Bartolome et al. Ab initio self-consistent many-body theory of polarons at all couplings |
580 |
A first-principles study on the electrical conductivity of Ag2S1−xSex (x = 0, 0.25, 0.5): Electron–phonon coupling |
579 |
Dongmei Zhang et al. A New Superconductor of BeB2C Under Atmospheric Pressure |
578 |
A DFT study of electron–phonon interactions for the C2CN and VNNB defects in hexagonal boron nitride: investigating the role of the transition dipole direction |
577 |
Jae-Mo Lihm, Cheol-Hwan Park Wannier Function Perturbation Theory: Localized Representation and Interpolation of Wave Function Perturbation |
576 |
Ruyi Zhang et al. Wafer-Scale Epitaxy of Flexible Nitride Films with Superior Plasmonic and Superconducting Performance |
575 |
Salah Al Smairat, J. Graham Vacancy-induced enhancement of electron–phonon coupling in cubic silicon carbide and its relationship to the two-temperature model |
574 |
Zhenglu Li et al. Unmasking the Origin of Kinks in the Photoemission Spectra of Cuprate Superconductors |
573 |
Chelsea Q. Xia et al. Ultrafast photo-induced phonon hardening due to Pauli blocking in MAPbI3 single-crystal and polycrystalline perovskites |
572 |
Ultrafast optical absorption and coherent phonon generation in monolayer and bilayer transition metal dichalcogenides |
571 |
Two-dimensional topological superconductivity candidate in a van der Waals layered material |
570 |
Wei Zhang et al. Two-dimensional square-Au2S monolayer: A promising thermoelectric material with ultralow lattice thermal conductivity and high power factor* |
572 |
Two-dimensional plasmonic polarons in n -doped monolayer MoS2 |
569 |
Xiaolong Yang et al. Tuning the phonon transport in bilayer graphene to an anomalous regime dominated by electron-phonon scattering |
568 |
Tuning chemical precompression: Theoretical design and crystal chemistry of novel hydrides in the quest for warm and light superconductivity at ambient pressures |
567 |
Xin Li et al. TransOpt. A code to solve electrical transport properties of semiconductors in constant electron–phonon coupling approximation |
566 |
Marie-Noëlle Dumaz Topic Modeling and Cultural Nature of Citations |
565 |
Zhu Wang et al. Three-gap superconductivity in two-dimensional InB2/InB4 films |
564 |
Lin Cheng et al. Thickness-dependent thermoelectric transporting properties of few-layered SnSe |
563 |
Kai-Cheng Zhang et al. Thickness-dependent anisotropic transport of phonons and charges in few-layered PdSe2 |
562 |
Jincheng Ding et al. Thermoelectric transport properties in chalcogenides ZnX (X=S, Se): From the role of electron-phonon couplings |
561 |
Thermoelectric performance of silicene under uniform biaxial strain: A first principles study |
560 |
Yu Wu et al. Thermoelectric performance of 2D materials: the band-convergence strategy and strong intervalley scatterings |
559 |
Somaieh Ahmadi et al. Thermoelectric Characteristics of Two-Dimensional Structures for Three Different Lattice Compounds of B–C–N and Graphene Counterpart BX (X = P, As, and Sb) Systems |
558 |
Zeyu Liu, T. Luo Thermal transport in superconducting niobium nitride: A first-principles study |
557 |
Shouhang Li, Xinyu Zhang, Hua Bao Thermal transport by electrons and phonons in PdTe2: an ab initio study |
556 |
Theoretical characterization and computational discovery of ultra-wide-band-gap semiconductors with predictive atomistic calculations |
555 |
Binyuan Zhang et al. The sensitive tunability of superconducting critical temperature in high-buckled plumbene by shifting Fermi level |
554 |
The room-temperature thermoelectric property of PbTe enhanced by mean-free-path filtering |
553 |
The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations |
552 |
The 2021 room-temperature superconductivity roadmap |
551 |
Antik Sihi, S. Pandey TRACK: A python code for calculating the transport properties of correlated electron systems using Kubo formalism |
550 |
Surprisingly good thermoelectric performance of monolayer C3N |
549 |
Surface-Plasmon Properties of Noble Metals with Exotic Phases |
548 |
Yanfeng Ge et al. Superconductivity in graphite-diamond hybrid |
547 |
Superconductivity in gallenene |
546 |
Superconductivity and topological behavior in gallenene |
545 |
Superconductivity and strong anharmonicity in novel Nb–S phases |
544 |
Shivprasad S. Shastri, S. Pandey Studying the lifetime of charge and heat carriers due to intrinsic scattering mechanisms in FeVSb half-Heusler thermoelectric |
543 |
Yu Wu et al. Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers |
542 |
Spin-tunable thermoelectric performance in monolayer chromium pnictides |
541 |
Single-layer polymeric tetraoxa[8]circulene modified by s-block metals: toward stable spin qubits and novel superconductors |
540 |
Xuefei Duan et al. Room-Temperature Thermoelectric Conversion by Dipole-Enhanced Rashba Spin-Orbit Coupling |
539 |
Chenmu Zhang, Long Cheng, Yuanyue Liu Role of flexural phonons in carrier mobility of two-dimensional semiconductors: free standing vs on substrate |
538 |
Ying Chen et al. Renormalized thermoelectric figure of merit in a band-convergent Sb2Te2Se monolayer: full electron–phonon interactions and selection rules |
537 |
Anooja Jayaraj et al. Relaxation time approximations in PAOFLOW 2.0 |
536 |
Zherui Han et al. Raman Linewidth Contributions from Four-Phonon and Electron-Phonon Interactions in Graphene |
535 |
Viet-Anh Ha et al. Quasiparticle Band Structure and Phonon-Induced Band Gap Renormalization of the Lead-Free Halide Double Perovskite Cs2InAgCl6 |
534 |
Quantum Confinement of Electron-Phonon Coupling in Graphene Quantum Dots |
533 |
Matthias Pickem, Emanuele Maggio, J. M. Tomczak Prototypical many-body signatures in transport properties of semiconductors |
532 |
Juan Cui et al. Pressure effects on the electrical transport and anharmonic lattice dynamics of r-GeTe: A first-principles study |
531 |
Prediction of superconductivity at 70 K in a pristine monolayer of LiBC |
530 |
Prediction of high-temperature superconductivity in C2/c−24 solid hydrogen |
529 |
Plasmonically assisted channels of photoemission from metals |
528 |
Phonon-mediated high-temperature superconductivity in the ternary borohydride KB2H8 under pressure near 12 GPa |
527 |
Phonon-assisted excitonic absorption in diamond |
526 |
Sangkha Borah et al. Phonon-assisted carrier cooling in h-BN/graphene van der Waals heterostructures |
525 |
Phonon-Limited Mobility and Electron-Phonon Coupling in Lead-Free Halide Double Perovskites |
524 |
Phonon- and defect-limited electron and hole mobility of diamond and cubic boron nitride: A critical comparison |
523 |
Seungjun Lee et al. Oxidation-enhanced thermoelectric efficiency in a two-dimensional phosphorene oxide |
522 |
Chong Wang et al. Origin of charge density wave in the layered kagome metal CsV3Sb5 |
521 |
Origin and Enhancement of Large Spin Hall Angle in Weyl Semimetals LaAlX (X=Si, Ge) |
520 |
Kohei Ishii, Jun Haruyama, O. Sugino Optical representation of thermal nuclear fluctuation effect on band-gap renormalization |
519 |
Nonequilibrium Lattice Dynamics in Monolayer MoS2 |
518 |
Jianqi Huang et al. New selection rule of resonant Raman scattering in MoS2 monolayer under circular polarization |
517 |
Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials |
516 |
Microscopic origin of the high thermoelectric figure of merit of n -doped SnSe |
515 |
Georgios Varnavides et al. Mesoscopic finite-size effects of unconventional electron transport in PdCoO2 |
514 |
Measurement of an excitonic wave function |
513 |
Maximal superconductivity in proximity to the charge density wave quantum critical point in CuxTiSe2 |
512 |
Machine learning of superconducting critical temperature from Eliashberg theory |
511 |
Low-temperature acanthite-like phase of Cu2S : Electronic and transport properties |
510 |
Ankit Sharma, U. Singisetti Low field electron transport in α − G a 2 O 3: An ab initio approach |
509 |
Chelsea Q. Xia et al. Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors |
508 |
Mingfeng Zhu et al. Large Intrinsic Resistivity of Monolayer Cu2Si and Fermi Surface Nesting |
507 |
Zhenlin Zhang et al. KSSOLV-GPU: An efficient GPU-enabled MATLAB toolbox for solving the Kohn-Sham equations within density functional theory in plane-wave basis set |
506 |
Jin-Jian Zhou et al. Journal Pre-proof charge transport and ultrafast dynamics |
505 |
Ye Su et al. Investigation of biaxial strain behavior and phonon-limited mobility for γ graphyne: First-principles calculation |
504 |
Intrinsic subthermionic capabilities and high performance of easy-to-fabricate monolayer metal dihalide MOSFETs |
503 |
Long Cheng, Chenmu Zhang, Yuanyue Liu Intrinsic charge carrier mobility of 2D semiconductors |
502 |
Andrea Cepellotti, B. Kozinsky Interband tunneling effects on materials transport properties using the first principles Wigner distribution |
501 |
In-silico synthesis of novel lowest-pressure high-Tc ternary superhydrides |
500 |
In-silico synthesis of lowest-pressure high-Tc ternary superhydrides |
499 |
Hyperbolic plasmon modes in tilted Dirac cone phases of borophene |
498 |
Zhibin Gao et al. Highly Anisotropic Thermoelectric Properties of Two-Dimensional As2Te3 |
497 |
Jin-Ning Wang, Xunwang Yan, M. Gao High-temperature superconductivity in SrB3C3 and BaB3C3 predicted from first-principles anisotropic Migdal-Eliashberg theory |
496 |
High-temperature multigap superconductivity in two-dimensional metal borides |
495 |
High temperature superconductivity in the candidate phases of solid hydrogen |
494 |
High performance Wannier interpolation of Berry curvature and related quantities with WannierBerri code |
493 |
Qiaoli Yang et al. Group velocity matters for accurate prediction of phonon-limited carrier mobility* |
494 |
Jun-Ho Lee, Y. Son Gate-tunable superconductivity and charge-density wave in monolayer 1T’-MoTe2 and 1T’-WTe2 |
492 |
First-principles study of thermoelectric transport properties in low-buckled monolayer silicene |
491 |
First-principles study of the electrical resistivity in zirconium dichalcogenides with multivalley bands: Mode-resolved analysis of electron-phonon scattering |
490 |
Jian-Feng Zhang, Kai Liu, Zhong-yi Lu First-principles study of the double-dome superconductivity in the kagome material CsV3Sb5 under pressure |
489 |
Jian-Feng Zhang et al. First-principles study of the crystal structure, electronic structure, and transport properties of NiTe2 under pressure |
488 |
First-principles study of superconductivity in α and β gallium |
487 |
First-principles study of electronic transport in germanane and hexagonal boron nitride |
486 |
Sai Mu et al. First-principles study of electron transport in ScN |
485 |
Samuel Poncé et al. First-principles predictions of Hall and drift mobilities in semiconductors |
484 |
First-principles investigation of electrons’ thermal excitations in UN, UAl2 and ThN |
483 |
Quanwei Jiang et al. First-principles calculations to investigate Zr substitution enhanced thermoelectric performance of p-type Zr Hf1−CoBi (x = 0,0.25,0.5,0.75,1) compounds |
482 |
Qian Xu et al. First-Principles Study of All Thermoelectric Properties of Si - Ge Alloys Showing Large Phonon Drag from 150 to 1100 K |
481 |
First principles investigations of the optical selectivity of titanium carbide-based materials for concentrating solar power applications |
480 |
First principles investigation of thermal properties of thorium mononitride |
479 |
Fingerprints of hot-phonon physics in time-resolved correlated quantum lattice dynamics |
478 |
Fine control of lattice thermal conductivity in low-dimensional materials |
477 |
Ilya Prigozhin, S. Dominici, E. Bellotti FBMC3D—A Large-Scale 3-D Monte Carlo Simulation Tool for Modern Electronic Devices |
476 |
Jan-Hendrik Pöhls et al. Experimental validation of high thermoelectric performance in RECuZnP2 predicted by high-throughput DFT calculations |
475 |
Tianlun Huang et al. Exciton-Phonon Interactions in Monolayer Germanium Selenide from First Principles |
474 |
Eric Osei-Agyemang, N. Koratkar, G. Balasubramanian Examining the electron transport in chalcogenide perovskite BaZrS3 |
473 |
Enhancement of superconductivity via resonant anti-shielding with topological plasmon-polarons |
472 |
Enhanced thermoelectric performance by van Hove singularities in the density of states of type-II nodal-line semimetals |
471 |
Sonu Prasad Keshri, A. Medhi Enhanced thermoelectric efficiency of monolayer InP3 under strain: a first-principles study |
470 |
Jianyong Chen, Yanfeng Ge Emergence of intrinsic superconductivity in monolayer W2N3 |
469 |
Tao Cheng et al. Ellipsometric and first-principles study on temperature-dependent UV-Vis dielectric functions of GaN |
468 |
Electron–phonon coupling in lightly n-doped 1T monolayers of PdSTe and PdSeTe: A rigid band approximation approach |
467 |
Wenlong Liao et al. Electron–phonon coupling factor and electron heat capacity of 6H-SiC |
466 |
Tianqi Deng et al. Electronic transport descriptors for the rapid screening of thermoelectric materials |
465 |
Jiang Cao et al. Electron-phonon coupling and electronic thermoelectric properties of n -type PbTe driven near the soft-mode phase transition via lattice expansion |
464 |
Ilias. Serifi et al. Electron-phonon contribution in aluminene: Superconductive and transport properties |
463 |
Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids |
462 |
Effects of electron-phonon intervalley scattering and band non-parabolicity on electron transport properties of high-temperature phase SnSe: An ab initio study |
461 |
Chong Wang et al. Effect of hole doping on superconductivity in compressed CeH9 at high pressures |
460 |
Gautam Sharma et al. Effect of electron-phonon coupling on the transport properties of monolayers of ZrS2, BiI3 and PbI2: a thermoelectric perspective |
459 |
Manoj Settipalli, Vitaly S. Proshchenko, Sanghamitra Neogi Effect of Electron-Phonon and Electron-Impurity Scattering on Electronic Transport Properties of Silicon/Germanium Superlattices |
458 |
Wenjie Zhang et al. Doping and temperature-dependent UV-Vis optical constants of cubic SrTiO3: a combined spectroscopic ellipsometry and first-principles study |
457 |
Cuiying Pei et al. Distinct superconducting behaviors of pressurized WB2 and ReB2 with different local B layers |
456 |
Jiang Cao et al. Dissipative transport and phonon scattering suppression via valley engineering in single-layer antimonene and arsenene field-effect transistors |
455 |
Direct visualization of polaron formation in the thermoelectric SnSe Proceedings of the National Academy of Sciences of the United States of America (2021) |
454 |
Zihan Zhang et al. Design Principles for High-Temperature Superconductors with a Hydrogen-Based Alloy Backbone at Moderate Pressure |
453 |
Zhen Li, P. Graziosi, N. Neophytou Deformation potential extraction and computationally efficient mobility calculations in silicon from first principles |
452 |
Coupling to zone-center optical phonons in VSe2 enhanced by charge density waves |
451 |
Binyuan Zhang et al. Controllable sign reversal of Seebeck coefficient and the large tunability of ZT value of plumbene: a first-principles study |
450 |
Coexisting charge density wave and ferromagnetic instabilities in monolayer InSe |
449 |
Dinesh Yadav, F. Pauly, M. Trushin Charge-carrier thermalization in bulk and monolayer CdTe from first principles |
448 |
Ca4Sb2O and Ca4Bi2O: two promising mixed-anion thermoelectrics |
447 |
Behaviour of induced states of substitutional and adatom impurity doping on electronic transport properties of single-layer black phosphorus |
446 |
Anomalous Thermoelectric Transport Phenomena from First‐Principles Computations of Interband Electron–Phonon Scattering |
445 |
Cameron Rudderham, J. Maassen Ab initio thermoelectric calculations of ring-shaped bands in two-dimensional Bi2Te3,Bi2Se3 , and Sb2Te3 : Comparison of scattering approximations |
444 |
Xiao Qing et al. Ab initio study of photoelectric properties in ZnO transparent conductive oxide |
443 |
Ab initio calculation of electron-phonon linewidths and molecular dynamics with electronic friction at metal surfaces with numeric atom-centred orbitals |
442 |
Ab initio analysis for the initial process of Joule heating in semiconductors |
441 |
Ab Initio Study of the Electron–Phonon Coupling in Ultrathin Al Layers |
440 |
Yifan Wei et al. A non-iterative method for vertex corrections of the Kubo formula for electric conductivity |
439 |
Jiaji Ma, Ruihan Yang, Hanghui Chen A large modulation of electron-phonon coupling and an emergent superconducting dome in doped strong ferroelectrics |
438 |
Camiel van Efferen et al. A full gap above the Fermi level: the charge density wave of monolayer VS2 |
437 |
Yiwei Liang et al. A cage boron allotrope with high superconductivity at ambient pressure |
436 |
Micael J. T. Oliveira et al. and the paradigm |
435 |
Long Cheng, Chenmu Zhang, Yuanyue Liu Why Two-Dimensional Semiconductors Generally Have Low Electron Mobility |
434 |
Junsoo Park et al. When band convergence is not beneficial for thermoelectrics |
433 |
Van der Waals SnSe2(1−x)S2x Alloys: Composition‐Dependent Bowing Coefficient and Electron–Phonon Interaction |
432 |
Wenjuan Shi et al. Unravelling the Molecular Origin of Organic Semiconductors with High‐Performance Thermoelectric Response |
431 |
Unit cell restricted Bloch functions basis for first-principle transport models: Theory and application |
430 |
Chenmu Zhang, Long Cheng, Yuanyue Liu Understanding High-Field Electron Transport Properties of Monolayer Transition Metal Dichalcogenides and Strain Effects |
429 |
Ultrafast dynamics in the high-symmetry and in the charge density wave phase of 2H−NbSe2 |
428 |
Zhihai Cui et al. Type-II Dirac Semimetal State in a Superconductor Tantalum Carbide |
427 |
Xiaofeng Liu et al. Two-dimensional Ca4N2 as a one-dimensional electride [Ca4N2]2+·2e- with ultrahigh conductance |
426 |
Towards theoretical framework for probing the accuracy limit of electronic transport properties of SnSe2 using many-body calculations |
425 |
Towards temperature-induced topological phase transition in SnTe: A first-principles study |
424 |
Yu Wu et al. Towards Accurate Predictions of Carrier Mobilities and Thermoelectric Performances in 2D Materials |
423 |
Thermal transport properties of GaN with biaxial strain and electron-phonon coupling |
422 |
Thermal effects on the electronic properties of sodium electride under high pressures |
421 |
Xiaokun Gu, Shouhang Li, Hua Bao Thermal conductivity of silicon at elevated temperature: Role of four-phonon scattering and electronic heat conduction |
420 |
Xiaokun Gu, Shouhang Li, Hua Bao Thermal conductivity of intrinsic semiconductor at elevated temperature: role of four-phonon scattering and electronic heat conduction |
419 |
Shouhang Li et al. Thermal conductivity and Lorenz ratio of metals at intermediate temperatures with mode-level first-principles analysis |
418 |
Francesco Macheda et al. Theory and Computation of Hall Scattering Factor in Graphene |
417 |
Sanjay Gopalan et al. Theoretical study of electronic transport in monolayer SnSe International Conference on Simulation of Semiconductor Processes and Devices (2020) |
416 |
Raveena Gupta et al. Theoretical model for predicting thermoelectric properties of tin chalcogenides |
415 |
Theoretical investigation of twin boundaries in WO3 : Structure, properties, and implications for superconductivity |
414 |
Shuo Cao et al. Theoretical evaluation of intrinsic mobility for two-dimensional semiconductor of BC2N: First-principles calculation |
413 |
Jie Zhang, G. Q. Huang The superconductivity and topological surface state of type-II Dirac semimetal NiTe2 |
412 |
Ying Luo, Guojun Zhao, Shudong Wang The electron-phonon scattering and carrier mobility in monolayer AsSb |
411 |
Micael J. T. Oliveira et al. The CECAM electronic structure library and the modular software development paradigm |
410 |
Binyuan Zhang et al. Temperature-dependent electron-phonon spectral function and the intrinsic resistivity of a metal: A case study of monolayer Ti2N |
409 |
Superconducting properties of MoTe2 from ab initio anisotropic Migdal-Eliashberg theory |
408 |
Summary and Concluding Remarks |
407 |
Samuel Poncé, F. Giustino Structural, electronic, elastic, power, and transport properties of β−Ga2O3 from first principles |
406 |
Changdong Liu et al. Strong electron-phonon interaction induced significant reduction in lattice thermal conductivities for single-layer MoS2 and PtSSe |
405 |
Jia-yue Yang et al. Strong electron-phonon coupling induced anomalous phonon transport in ultrahigh temperature ceramics ZrB2 and TiB2 |
404 |
Poobodin Mano, E. Minamitani, Satoshi Watanabe Straintronic effect for superconductivity enhancement in Li-intercalated bilayer MoS2 |
403 |
Strain-stabilized superconductivity |
402 |
Jinlong Ma et al. Strain induced ultrahigh electron mobility and thermoelectric figure of merit in monolayer α-Te |
401 |
Strain Effects on the n-Type Thermoelectric Performance of the Small-Molecule Organic Semiconductor 2-5-Difluoro-7,7,8,8-Tetracyanoquinodimethane |
400 |
Xiaoying Lu et al. SrPd, a candidate material with extremely large magnetoresistance |
399 |
Hong T. T. Nguyen et al. Spin–orbit coupling effect on electronic, optical, and thermoelectric properties of Janus Ga2SSe |
398 |
Review for “Direct measurement of key exciton properties: Energy, dynamics, and spatial distribution of the wave function” |
397 |
Chao‐Ping Hsu Reorganization energies and spectral densities for electron transfer problems in charge transport materials |
396 |
Andrea Cepellotti, B. Kozinsky Quantum electronic transport in semiconductors using the Wigner distribution from first principles |
395 |
Quantum ESPRESSO toward the exascale |
394 |
Profiling novel high-conductivity 2D semiconductors |
393 |
Xiaowei Liang et al. Prediction of superconductivity in pressure-induced new silicon boride phases |
392 |
Li-Bin Shi et al. Prediction of high carrier mobility for a novel two-dimensional semiconductor of BC6N: first principles calculations |
391 |
Prediction of Phonon-Mediated Superconductivity with High Critical Temperature in the Two-Dimensional Topological Semimetal W2N3 |
390 |
Yijun Ge, T. Fisher Photoconductivity calculations of bilayer graphene from first principles and deformation-potential approach |
389 |
Ye Su et al. Phonon-limited mobility for novel two-dimensional semiconductors of BC3 and C3N: First-principles calculation |
388 |
Yanfeng Ge et al. Phonon-limited electronic transport of two-dimensional ultrawide bandgap material h-BeO |
387 |
Phonon-limited electron mobility in Si, GaAs, and GaP with exact treatment of dynamical quadrupoles |
386 |
Zhenbang Dai et al. Phonon-Assisted Ballistic Current from First-Principles Calculations |
385 |
Jin-Jian Zhou et al. Perturbo: A software package for ab initio electron-phonon interactions, charge transport and ultrafast dynamics |
384 |
Dongjing Lin et al. Patterns and driving forces of dimensionality-dependent charge density waves in 2H-type transition metal dichalcogenides |
383 |
PHYSICAL REVIEW B 102, 144504 (2020) Li2xBC3: Prediction of a second MgB2-class high-temperature superconductor |
382 |
Origin of the complex Raman tensor elements in single-layer triclinic ReSe2 |
381 |
Origin and enhancement of the spin Hall angle in the Weyl semimetals LaAlSi and LaAlGe |
380 |
Junsoo Park et al. Optimal band structure for thermoelectrics with realistic scattering and bands |
379 |
Chengliang Xia, Juan Cui, Yue Chen Modulation of Band Alignment and Electron–Phonon Scattering in Mg3Sb2 via Pressure |
378 |
Tahereh Nematiaram, A. Troisi Modeling charge transport in high-mobility molecular semiconductors: Balancing electronic structure and quantum dynamics methods with the help of experiments |
377 |
Yinchang Zhao et al. MgB4 trilayer film: A four-gap superconductor |
376 |
Wenbin Li, F. Giustino Many-body renormalization of the electron effective mass of InSe |
375 |
Low-loss two-dimensional plasmon modes in antimonene |
374 |
Jianye Liu et al. Low thermal conductivity and good thermoelectric performance in mercury chalcogenides |
373 |
Ankit Sharma, U. Singisetti Low field electron mobility in α-Ga₂O₃: An ab-initio approach |
372 |
Alexander G. Squires et al. Low Electronic Conductivity of Li7La3Zr2O12 (LLZO) Solid Electrolytes from First Principles |
371 |
Li2xBC3 : Prediction of a second MgB2 -class high-temperature superconductor |
370 |
Large lattice thermal conductivity, interplay between phonon-phonon, phonon-electron, and phonon-isotope scatterings, and electrical transport in molybdenum from first principles |
369 |
Investigating charge carrier scattering processes in anisotropic semiconductors through first-principles calculations: the case of p-type SnSe |
368 |
Introduction |
367 |
Mei Yang et al. Intrinsic carrier mobility of monolayer GeS and GeSe: First-principles calculation |
366 |
Influence of boron isotope ratio on the thermal conductivity of uranium diboride (UB2) and zirconium diboride (ZrB2) |
365 |
Indirect electron-phonon interaction leading to significant reduction of thermal conductivity in graphene |
364 |
Gautam Sharma, K. C. Bhamu Impressive Electronic Transport in Be₂C Monolayer Limited by Phonon |
363 |
Zizhen Zhou et al. High-throughput prediction of the carrier relaxation time via data-driven descriptor |
362 |
Qingjun Huang et al. High thermoelectric figure of merit in monolayer Tl2O from first principles |
361 |
High performance photocatalytic and thermoelectric two-dimensional asymmetrically ordered Janus-like MXene alloys |
360 |
High performance Wannier interpolation of Berry curvature and related quantities: WannierBerri code |
359 |
Junsoo Park et al. High Thermoelectric Performance in Multi-pocketed Full-Heuslers and Their Defect Energetics |
358 |
Junsoo Park et al. High Thermoelectric Performance and Defect Energetics of Multipocketed Full Heusler Compounds |
357 |
Jinlong Ma et al. High Thermoelectric Figure of Merit of Full‐Heusler Ba2AuX (X = As, Sb, and Bi) |
356 |
Kai-Cheng Zhang et al. First-principles study on the anisotropic transport of electrons and phonons in monolayer and bulk GaTe: a comparative study |
355 |
Wennie Wang et al. First-principles study of transport in WO3 |
354 |
Jian-Feng Zhang et al. First-principles study of the robust superconducting state of NbTi alloys under ultrahigh pressures |
353 |
Jian-Feng Zhang et al. First-principles study of electron-phonon coupling and magnetoresistance of LaBi under pressure |
352 |
Xiaoshi Jin, Xunwang Yan, M. Gao First-principles calculations of monolayer hexagonal boron nitride: Possibility of superconductivity |
351 |
Yue Hu, Shouhang Li, Hua Bao First-principles based analysis of thermal transport in metallic nanostructures: Size effect and Wiedemann-Franz law |
350 |
First principles investigation of thermal transport of uranium mononitride |
349 |
Fermiology and type-I superconductivity in the chiral superconductor NbGe2 with Kramers-Weyl fermions |
348 |
Jinlong Ma et al. Examining two-dimensional Fröhlich model and enhancing the electron mobility of monolayer InSe by dielectric engineering |
347 |
Gavin B Osterhoudt et al. Evidence for Dominant Phonon-Electron Scattering in Weyl Semimetal WP2 |
346 |
Xiangtian Bu, Shudong Wang Electron–phonon scattering and excitonic effects in T-carbon |
345 |
Xianzhong Zhou, Ziyang Zhang Electron–phonon coupling in CsPbBr3 |
344 |
Electron–phonon coupling and related transport properties of metals and intermetallic alloys from first principles |
343 |
Electronic, vibrational, and electron–phonon coupling properties in SnSe2 and SnS2 under pressure |
342 |
Electronic transport properties of hydrogenated and fluorinated graphene: a computational study |
341 |
Zhengtai Liu et al. Electron-plasmon interaction induced plasmonic-polaron band replication in epitaxial perovskite SrIrO3 films |
340 |
Ziang Jing et al. Electron-phonon scattering limited intrinsic electrical conductivity of metallic MXenes X2C (X= Ti or Mo) |
339 |
Ransell D’Souza et al. Electron-phonon scattering and thermoelectric transport in p -type PbTe from first principles |
338 |
Xiangtian Bu, Shudong Wang Electron-phonon scattering and mean free paths in D-carbon |
337 |
Electron-phonon drag enhancement of transport properties from a fully coupled ab initio Boltzmann formalism |
336 |
Electron-Phonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids |
335 |
Jinlong Ma et al. Electron mobility and mode analysis of scattering for β-Ga2O3 from first principles |
334 |
周铁戈, Tiege Zhou Electron Pairing Mechanism in Unconventional Superconductors: Change of the Electron Clouds |
333 |
Tiege Zhou Electron Pairing Mechanism in Unconventional Superconductors |
332 |
Krishnendu Ghosh, Avinash Kumar, U. Singisetti Electrical Properties 2 |
331 |
Efficient calculation of carrier scattering rates from first principles |
330 |
Chengliang Xia, Juan Cui, Yue Chen Effect of group-3 elements doping on promotion of in-plane Seebeck coefficient of n-type Mg3Sb2 |
329 |
Tianqi Deng et al. EPIC STAR: a reliable and efficient approach for phonon- and impurity-limited charge transport calculations |
328 |
Jianfeng Wang et al. Density-independent plasmons for terahertz-stable topological metamaterials Proceedings of the National Academy of Sciences of the United States of America (2020) |
327 |
Density functional theory study of the structural, mechanical and thermal conductivity of uranium dialuminide (UAl2) |
326 |
Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory |
325 |
Copper, gold, and platinum under femtosecond irradiation: Results of first-principles calculations |
324 |
Joonho Lee, Shiwei Zhang, D. Reichman Constrained-path auxiliary-field quantum Monte Carlo for coupled electrons and phonons |
323 |
Coexistence of spontaneous polarization and superconductivity in hole-doped oxyhydrides ATiO2H ( A=K,Rb,Cs ): First-principles study |
322 |
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Electron–phonon interaction and transport properties of metallic bulk and monolayer transition metal dichalcogenide TaS2 |
62 |
Electron-phonon scattering effect on the lattice thermal conductivity of silicon nanostructures |
61 |
Krishnendu Ghosh, U. Singisetti Electron mobility in monoclinic β-Ga_2O_3—Effect of plasmon-phonon coupling, anisotropy, and confinement |
60 |
Yanbin Ma et al. Divergent synthesis routes and superconductivity of ternary hydride MgSiH 6 at high pressure |
59 |
Liang Chen, Zhequan Yan, Satish Kumar Coupled electron-phonon transport and heat transfer pathways in graphene nanostructures |
58 |
Prashun Gorai, V. Stevanović, E. Toberer Computationally guided discovery of thermoelectric materials |
57 |
Nien-En Lee et al. Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal |
56 |
Matthew B Goldey et al. Charge Transport in Nanostructured Materials: Implementation and Verification of Constrained Density Functional Theory |
55 |
Asymmetry in the Hot Carrier Dynamics in GaN and its Impact on the Efficiency Droop |
54 |
Advanced capabilities for materials modelling with Quantum ESPRESSO |
53 |
Qichen Song et al. Ab-initio study of electron transport in lead telluride |
52 |
Mattia Fiorentini Ab initio study of thermoelectric phenomena via the exact solution of the Boltzmann equation |
51 |
A first-principles study of the effects of electron–phonon coupling on the thermoelectric properties: a case study of the SiGe compound |
50 |
A New Perspective on the Role of A‐Site Cations in Perovskite Solar Cells |
49 |
Thermoelectric properties of graphyne from first-principles calculations |
48 |
Mattia Fiorentini, N. Bonini Thermoelectric coefficients ofn-doped silicon from first principles via the solution of the Boltzmann transport equation |
47 |
Theory of electron-plasmon coupling in semiconductors |
46 |
Pressure dependency of electron-phonon renormalization in diamond |
45 |
Prediction of phonon-mediated superconductivity in borophene |
44 |
Jun-Jie Zhang, S. Dong Prediction of above 20 K superconductivity of blue phosphorus bilayer with metal intercalations |
43 |
Jia-yue Yang, G. Qin, Ming Hu Nontrivial contribution of Fröhlich electron-phonon interaction to lattice thermal conductivity of wurtzite GaN |
42 |
Full band Monte Carlo simulation of impact ionization in wide bandgap semiconductors based on ab initio calculation International Conference on Simulation of Semiconductor Processes and Devices (2016) |
41 |
First-principles dynamics of electrons and phonons* |
41 |
Jiawei Zhou, B. Liao, Gang Chen First-principles calculations of thermal, electrical, and thermoelectric transport properties of semiconductors |
40 |
First Principles Peierls-Boltzmann Phonon Thermal Transport: A Topical Review |
39 |
Adam D. Wright et al. Electron–phonon coupling in hybrid lead halide perovskites |
38 |
Electronic Structure and Transport in Solids from First Principles |
37 |
Electron-phonon interactions from first principles |
36 |
Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene |
35 |
Efficient method to calculate the electron-phonon coupling constant and superconducting transition temperature |
34 |
Samuel Poncé et al. EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions |
33 |
Band Monte Carlo Simulation of Impact Ionization in Wide Bandgap Semiconductors Based on Ab Initio Calculation |
32 |
Krishnendu Ghosh, U. Singisetti Ab initio calculation of electron–phonon coupling in monoclinic β-Ga2O3 crystal |
31 |
Krishnendu Ghosh, U. Singisetti Ab initio Study of High-field Transport in Low Symmetry Crystals- Velocity-Field Curves in Monoclinic beta-Ga2O3 |
30 |
Jin-Jian Zhou, M. Bernardi Ab initio Electron Mobility and Polar Phonon Scattering in GaAs |
29 |
Krishnendu Ghosh, U. Singisetti Ab Initio Velocity-Field Curves in Monoclinic (beta)-Gatextsubscript{2}Otextsubscript{3}} |
28 |
Ab Initio Electronic Relaxation Times and Transport in Noble Metals |
27 |
Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals |
26 |
Superconductivity in the elements, alloys and simple compounds |
25 |
Polaronic correlation offsets in tetrahedral semiconductors |
24 |
Phonon engineering for hot-carrier solar cells |
23 |
Yuqian Jiang, Jinyang Xi, Z. Shuai Mechanism of charge transport in organic semiconductors and carbon nanomaterials |
22 |
Ingénierie phononique pour les cellules solaires à porteurs chauds |
21 |
Electron–phonon coupling and associated scattering rates in diamond |
20 |
Electron-phonon interaction and scattering in Si and Ge: Implications for phonon engineering |
19 |
Xiao-Long Zhang, Wuming Liu Electron-Phonon Coupling and its implication for the superconducting topological insulators |
18 |
Accelerated Screening of Thermoelectric Materials by First‐Principles Computations of Electron–Phonon Scattering |
17 |
Ab initio study of hot electrons in GaAs Proceedings of the National Academy of Sciences of the United States of America (2015) |
16 |
Ab initio study of avalanche breakdown in diamond for power device applications |
15 |
Jiawei Zhou et al. Ab initio optimization of phonon drag effect for lower-temperature thermoelectric energy conversion Proceedings of the National Academy of Sciences of the United States of America (2015) |
14 |
Jiawei Zhou, Gang Chen, C. R. Soderberg Ab Initio Simulation and Optimization of Phonon Drag Effect for Lower-temperature Thermoelectric Energy Conversion |
13 |
ab initio study of hot carriers in the first picosecond after sunlight absorption in silicon |
12 |
Two-gap superconductivity in heavily n-doped graphene: Ab initio Migdal-Eliashberg theory |
11 |
Bo Qiu et al. First-principles simulation of electron mean-free-path spectra and thermoelectric properties in silicon |
10 |
Cheol-Hwan Park et al. Electron-phonon interactions and the intrinsic electrical resistivity of graphene |
9 |
Jinyang Xi et al. Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach |
8 |
Theory of Carriers Transport in III-Nitride Materials: State of the Art and Future Outlook |
7 |
BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis |
6 |
Cheol-Hwan Park et al. Inelastic carrier lifetime in bilayer graphene |
5 |
The shear mode of multilayer graphene |
4 |
The shear mode of multi-layer graphene |
3 |
The Electron-Phonon Interaction from First Principles |
2 |
Superconductivity in monolayer Pb on Si(111) from first principles |
1 |
Maximally-localized Wannier Functions: Theory and Applications |