Papers using EPW ################ .. Last update: 11AM, May 17, 2021 .. From Sep. 2020, the papers from the item of 309 are sorted by date based on Google Scholar. .. incomplete journal info: Mater. Today Phys. (2020) Phys. Chem. Chem. Phys. (2021) Chin. Phys. B (2021) In the item of 46, the full name of Mustafa is not printed correctly due to the unknown reason. .. figure:: /doc/images/citations.png :width: 500px As of Jan. 12, 2023, the number of papers per year using EPW and citing 2010 [J. Noffsinger et al., `Comput. Phys. Comm. 181, 2140 (2010) `_] and 2016 [S. Poncé et al., `Comput. Phys. Commun. 209, 116 (2016) `_] EPW technical papers. EPW was used to calculate electron-phonon properties in the following papers: ===== ===== 599. | Z. Shu et al. | **High-performance thermoelectric monolayer γ-GeSe and its group-IV monochalcogenide isostructural family** | `Chemical Engineering Journal 454, 140242 (2023) `_ 598. | A. Wang et al. | **First-principles based computational framework for the thermal conductivity of complex intermetallics: The case study of MgZn2 and Mg4Zn7** | `J. Appl. Phys. 133, 015101 (2023) `_ 597. | Neelesh Gupta and Rekha Verma | **Effect of electron–phonon coupling on transport properties of monolayer germanene: A thermoelectric perspective** | `Materials Science in Semiconductor Processing 153, 107115 (2023) `_ 596. | Z. Tong et al. | **Anisotropic Phononic and Electronic Thermal Transport in BeN4** | `J. Phys. Chem. Lett. 13, 4501 (2022) `_ 595. | J. Li et al. | **A Strong Two-Dimensional Semiconductor l-B4C with High Carrier Mobility** | `J. Phys. Chem. C 126, 6036 (2022) `_ 594. | K.-C. Zhang et al. | **Effect of quartic anharmonicity on the carrier transport of cubic halide perovskites CsSnI3 and CsPbI3** | `Phys. Rev. B 106, 235202 (2022) `_ 593. | D. Guo et al. | **The room-temperature thermoelectric property of PbTe enhanced by mean-free-path filtering** | `Journal of Alloys and Compounds 893, 162296 (2022) `_ 592. | S. Qi et al. | **Tunable goniopolarity of graphenelike boron layers in metal diborides** | `Phys. Rev. B 106, 165204 (2022) `_ 591. | Y. Wu et al. | **Excellent response to near ultraviolet light and large intervalley scatterings of electrons in 2D SnS2** | `Nanoscale 14, 5462 (2022) `_ 590. | X. Zhao et al. | **A two-dimensional topological nodal-line material MgN4 with extremely large magnetoresistance** | `Nanoscale 14, 14191 (2022) `_ 589. | S. Insad et al. | **Two-dimensional stanene: Electron-phonon interaction** | `Materials Today: Proceedings 53, 437 (2022) `_ 588. | A. Wu et al. | **High thermoelectric performances in PbP monolayers considering full electron-phonon coupling and four-phonon scattering processes** | `arXiv:2206.02188 (2022) `_ 587. | S. Tang et al. | **Optimized Active Cooling and Refrigeration using Antidoted Graphene for Heat Management of Microelectronics** | `arXiv:2201.05847 (2022) `_ 586. | C. Pei et al. | **Distinct superconducting behaviors of pressurized WB2 and ReB2 with different local B layers** | `Sci. China Phys. Mech. Astron. 65, 287412 (2022) `_ 585. | S. Huang et al. | **First-Principles Study of Silicon–Tin Alloys as a High-Temperature Thermoelectric Material** | `Materials 15, 4107 (2022) `_ 584. | C. Zhang et al. | **Discovering 2D Semiconductors with High Intrinsic Carrier Mobility at Room Temperature** | `arXiv:2208.10663 (2022) `_ 583. | K. Sharman et al. | **A first-principles calculation of electron-phonon interactions for the C2CN and VNNB defects in hexagonal boron nitride** | `arXiv:2207.14411 (2022) `_ 582. | E. A. Moujaes and W. A. Diery | **Electron–phonon coupling in lightly n-doped 1T monolayers of PdSTe and PdSeTe: A rigid band approximation approach** | `Physica B: Condensed Matter 625, 413480 (2022) `_ 581. | V. Askarpour and J. Maassen | **First-principles analysis of intravalley and intervalley electron-phonon scattering in thermoelectric materials** | `arXiv:2209.04659 (2022) `_ 580. | H. Xie et al. | **Surface hopping dynamics in periodic solid-state materials with a linear vibronic coupling model** | `J. Chem. Phys. 156, 154116 (2022) `_ 579. | T. Esswein and N. A. Spaldin | **First-principles calculation of electron-phonon coupling in doped KTaO3** | `arXiv:2210.14113 (2022) `_ 578. | T. Deng et al. | **Phonon-limited carrier mobilities and Hall factors in 4H-SiC from first principles** | `arXiv:2210.02813 (2022) `_ 577. | R. Bombín et al. | **Anomalous transient blueshift in the internal stretch mode of CO/Pd(111)** | `arXiv:2211.12192 (2022) `_ 576. | S. Yao et al. | **Fermi surface topology and anisotropic superconducting gap in electron-doped hydride compounds at high pressure** | `Phys. Rev. Materials 6, 034801 (2022) `_ 575. | B. Zhai et al. | **Prediction of ferroelectric superconductors with reversible superconducting diode effect** | `Phys. Rev. B 106, L140505 (2022) `_ 574. | M. Settipalli et al. | **The effect of electron–phonon and electron-impurity scattering on the electronic transport properties of silicon/germanium superlattices** | `J. Mater. Chem. C 10, 7525 (2022) `_ 573. | L. Feng et al. | **Nontrivial effect of out-of-plane acoustic phonon mode on limiting room temperature conductivity of ABA-stacked trilayer graphene** | `Phys. Rev. B 105, 195433 (2022) `_ 572. | J. Huang et al. | **First-principles calculations of double resonance Raman spectra for monolayer MoTe2** | `Phys. Rev. B 105, 235401 (2022) `_ 571. | Z. Yuan et al. | **Computational design of a new layered superconductor LaOTlF2** | `Phys. Chem. Chem. Phys. 24, 7331 (2022) `_ 570. | J. Berges et al. | **Phonon self-energy corrections: To screen, or not to screen** | `arXiv:2212.11806 (2022) `_ 569. | Z. Liu and B. Wang | **Biaxial strain engineering on the superconducting properties of MgB2 monolayer** | `Materials Chemistry and Physics 290, 126637 (2022) `_ 568. | J. Sun et al. | **Electron mean-free-path filtering in n-type SnSe for improved thermoelectric performance at room temperature** | `Journal of Alloys and Compounds 906, 164299 (2022) `_ 567. | H. Shao et al. | **Thermoelectric performance in a Si allotrope with ultralow thermal conductivity: a first-principles study combining phonon-limited electronic transport calculations** | `Materials Today Physics 27, 100756 (2022) `_ 566. | S. Han et al. | **Effects of electron-phonon coupling on the phonon transport properties of the Weyl semimetals NbAs and TaAs: A comparative study** | `Journal of Materiomics (In Press) (2022) `_ 565. | K.-Y. Song et al. | **Study on CoAl intermetallic compound films for advanced interconnect applications: Experimental and DFT investigations** | `Vacuum 206, 111528 (2022) `_ 564. | J. Leveillee et al. | **Anisotropic-strain-enhanced hole mobility in GaN by lattice matching to ZnGeN2 and MgSiN2** | `Appl. Phys. Lett. 120, 202106 (2022) `_ 563. | Y. Zhang et al. | **Four-phonon and electron–phonon scattering effects on thermal properties in two-dimensional 2H-TaS2** | `Nanoscale 14, 13053 (2022) `_ 562. | W. Y. Jiao et al. | **Surprisingly good thermoelectric performance of monolayer C3N** | `Nanotechnology 33, 045401 (2022) `_ 561. | J. Lim et al. | **Creating superconductivity in WB2 through pressure-induced metastable planar defects** | `Nat. Commun. 13, 7901 (2022) `_ 560. | L.-Y. Cheng et al. | **Thickness-dependent thermoelectric transporting properties of few-layered SnSe** | `Journal of Alloys and Compounds 894, 162542 (2022) `_ 559. | A. Giri et al. | **Exceptionally Enhanced Thermal Conductivity of Aluminum Driven by Extreme Pressures: A First-Principles Study** | `J. Phys. Chem. Lett. 13, 10918 (2022) `_ 558. | Z. Tong et al. | **Ultrahigh Electron Thermal Conductivity in T-Graphene, Biphenylene, and Net-Graphene** | `Adv. Energy Mater. 12, 2200657 (2022) `_ 557. | R. Hu et al. | **Ultralow lattice thermal conductivity and high thermoelectric performance of the WS2/WTe2 van der Waals superlattice** | `Physics Letters A 430, 127986 (2022) `_ 556. | C. Sevik et al. | **High-temperature multigap superconductivity in two-dimensional metal borides** | `Phys. Rev. Materials 6, 024803 (2022) `_ 555. | J. Ji et al. | **Functional-Unit-Based Material Design: Ultralow Thermal Conductivity in Thermoelectrics with Linear Triatomic Resonant Bonds** | `J. Am. Chem. Soc. 144, 18552 (2022) `_ 554. | P.-F. Liu et al. | **Two-gap superconductivity in a Janus MoSH monolayer** | `Phys. Rev. B 105, 245420 (2022) `_ 553. | H. Xu et al. | **Nonlinear nonreciprocal photocurrents under phonon dressing** | `Phys. Rev. B 106, 035102 (2022) `_ 552. | J. Huang et al. | **New selection rule of resonant Raman scattering in MoS2 monolayer under circular polarization** | `Journal of Materials Science & Technology 102, 132 (2022) `_ 551. | Z. Tong et al. | **Multitemperature Modeling of Thermal Transport across a Au–GaN Interface from Ab Initio Calculations** | `ACS Appl. Electron. Mater. 4, 4553 (2022) `_ 550. | C. Zhang et al. | **Phonon-limited transport of two-dimensional semiconductors: Quadrupole scattering and free carrier screening** | `Phys. Rev. B 106, 115423 (2022) `_ 549. | S. Zheng et al. | **Symmetry-guaranteed high carrier mobility in quasi-2D thermoelectric semiconductors** | `Adv. Mater. (accepted) (2022) `_ 548. | N. S. Fedorova et al. | **Anomalous Thermoelectric Transport Phenomena from First-Principles Computations of Interband Electron–Phonon Scattering** | `Adv. Funct. Mater. 32, 2111354 (2022) `_ 547. | Z. Zhou et al. | **Anomalous Thermal Transport Driven by Electron–Phonon Coupling in 2D Semiconductor h-BP** | `Adv. Funct. Mater. 32, 2206974 (2022) `_ 546. | Z. Tong et al. | **Significant Increase of Electron Thermal Conductivity in Dirac Semimetal Beryllonitrene by Doping Beyond Van Hove Singularity** | `Adv. Funct. Mater. 32, 2111556 (2022) `_ 545. | M. Daeumer et al. | **Orientation-dependent transport properties of Cu3Sn** | `Acta Materialia 227, 117671 (2022) `_ 544. | Z. Lin et al. | **Phonon-Limited Valley Polarization in Transition-Metal Dichalcogenides** | `Phys. Rev. Lett. 129, 027401 (2022) `_ 543. | J. Shin et al. | **High ambipolar mobility in cubic boron arsenide** | `Science 377, 437 (2022) `_ 542. | H. -C. Pai and Y. -R. Wu | **Study of Carrier Scattering and Mobility in Monolayer MoTe2 and WTe2 by First-Principle Analysis** | `2022 International Symposium on VLSI Technology, Systems and Applications (VLSI-TSA), Hsinchu, Taiwan, 2022, pp. 1-2 `_ 541. | W. H. Sio and F. Giustino | **Unified ab initio description of Fröhlich electron-phonon interactions in two-dimensional and three-dimensional materials** | `Phys. Rev. B 105, 115414 (2022) `_ 540. | R. Sen et al. | **Photoexcited electron dynamics and energy loss rate in silicon: temperature dependence and main scattering channels** | `Proceedings Volume 12132, Advances in Ultrafast Condensed Phase Physics III; 1213204 (2022) `_ 539. | S. Song et al. | **Exceptionally high phonon-limited carrier mobility in BX (X = P, As, Sb) monolayers** | `arXiv:2204.11419 (2022) `_ 538. | S. Song et al. | **Abnormally weak intervalley electron scattering in MoS2 monolayer: insights from the matching between electron and phonon bands** | `arXiv:2204.11415 (2022) `_ 537. | N. T. Hung et al. | **Enhanced thermoelectric performance by van Hove singularities in the density of states of type-II nodal-line semimetals** | `Phys. Rev. B 105, 115142 (2022) `_ 536. | M. S. Muntini et al. | **Spin-tunable thermoelectric performance in monolayer chromium pnictides** | `Phys. Rev. Materials 6, 064010 (2022) `_ 535. | M. G. Rosul and M. Zebarjadi | **Effect of Electron–Phonon Interaction and Ionized Impurity Scattering on the Room-Temperature Thermoelectric Properties of Bulk MoSe2** | `J. Phys. Chem. C 126, 15011 (2022) `_ 534. | H. Jeon et al. | **Electron–phonon coupling and superconductivity in an alkaline earth hydride CaH6 at high pressures** | `New J. Phys. 24, 083048 (2022) `_ 533. | M. Zarea et al. | **Effects of anisotropy and disorder on the superconducting properties of Niobium** | `arXiv:2201.07403 (2022) `_ 532. | D. Zhang et al. | **A New Superconductor of BeB2C Under Atmospheric Pressure** | `J Supercond Nov Magn 35, 3135 (2022) `_ 531. | R. Lucrezi et al. | **In-silico synthesis of lowest-pressure high-Tc ternary superhydrides** | `Npj Comput. Mater. 8, 119 (2022) `_ 530. | Z. Wan et al. | **Superconductivity and magnetism in compressed actinium-beryllium-hydrogen alloys** | `arXiv:2209.01903 (2022) `_ 529. | R. Lucrezi et al. | **Quantum lattice dynamics and their importance in ternary superhydride clathrates** | `arXiv:2212.09789 (2022) `_ 528. | X. Zhang et al. | **Ab initio theory of free-carrier absorption in semiconductors** | `Phys. Rev. B 106, 205203 (2022) `_ 527. | B. Szpunar | **First principles investigation of the electronic-thermal transport of ThN, UN, and ThC** | `Nuclear Materials and Energy 32, 101212 (2022) `_ 526. | W. Liao et al. | **Electron–phonon coupling factor and electron heat capacity of 6H-SiC** | `Molecular Simulation 48, 322 (2022) `_ 525. | S. Das et al. | **Electron-phonon coupling and spin fluctuations in the Ising superconductor NbSe2** | `arXiv:2210.00745 (2022) `_ 524. | N. S. Sitaraman et al. | **Theory of Nb-Zr Alloy Superconductivity and First Experimental Demonstration for Superconducting Radio-Frequency Cavity Applications** | `arXiv:2208.10678 (2022) `_ 523. | A. Sihi and S. K. Pandey | **Evidence of phase stability, topological phonon and temperature-induced topological phase transition in rocksalt SnS and SnSe** | `J. Phys.: Condens. Matter 34, 325601 (2022) `_ 522. | H.-C. Pai and Y.-R. Wu | **Investigating the high field transport properties of Janus WSSe and MoSSe by DFT analysis and Monte Carlo simulations** | `J. Appl. Phys. 131, 144303 (2022) `_ 521. | T. Fei et al. | **Temperature-dependent infrared dielectric functions and hybrid phonon-polaritons in wurtzite GaN: A spectroscopic ellipsometry and multiscale simulation study** | `J. Appl. Phys. 131, 093102 (2022) `_ 520. | M. Ghim and S.-H. Jhi | **Kohn anomalies in topological insulator thin films: first-principles study** | `J. Phys.: Condens. Matter 34, 265002 (2022) `_ 519. | Z. Zhou et al. | **Giant Phonon Anomaly in Topological Nodal-Line Semimetals** | `Fundamental Research (In Press) (2022) `_ 518. | T. Hu et al. | **Prediction of new phase 2D C2h group III monochalcogenides with direct bandgaps and highly anisotropic carrier mobilities** | `Mater. Adv. 3, 2213 (2022) `_ 517. | Z. Wei et al. | **Extremely low-energy collective modes in a quasi-one-dimensional topological system** | `Sci. China Phys. Mech. Astron. 65, 257012 (2022) `_ 516. | T. Pandey et al. | **Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers** | `2D Mater. 9, 015034 (2022) `_ 515. | A. Marrazzo | **Thermal robustness of the quantum spin Hall phase in monolayer WTe2** | `arXiv:2210.11258 (2022) `_ 514. | C. Li and L. Cheng | **Intrinsic electron transport in monolayer MoSi2N4 and WSi2N4** | `J. Appl. Phys. 132, 075111 (2022) `_ 513. | E. Johansson et al. | **The effect of strain and pressure on the electron-phonon coupling and superconductivity in MgB2—Benchmark of theoretical methodologies and outlook for nanostructure design** | `J. Appl. Phys. 131, 063902 (2022) `_ 512. | R. Biele and R. D'Agosta | **Transport coefficients of layered TiS3** | `Phys. Rev. Materials 6, 014004 (2022) `_ 511. | J. Lu et al. | **First-principle study on electronic structures and optical properties of Au-Cu intermetallic compounds** | `Materials Today Communications 33, 104864 (2022) `_ 510. | F. Macheda et al. | **Electron-phonon interaction and phonons in 2d doped semiconductors** | `arXiv:2212.12237 (2022) `_ 509. | Q. Jiang et al. | **Ternary superconducting hydrides stabilized via Th and Ce elements at mild pressures** | `Fundamental Research (In Press) (2022) `_ 508. | Y. Pang et al. | **Accurate assignment of double resonant Raman bands in Janus MoSSe monolayer from first-principles calculations** | `Journal of Materials Science & Technology 131, 82 (2022) `_ 507. | J. jo et al. | **Experimental and theoretical study of hole scattering in RF sputtered p-type Cu2O thin films** | `Appl. Phys. Lett. 120, 112105 (2022) `_ 506. | C. E. P. Villegas et al. | **Efficient hot-carrier dynamics in near-infrared photocatalytic metals** | `Phys. Rev. B 105, 165109 (2022) `_ 505. | A. Kumara and U. Singisetti | **Full-band Monte Carlo simulation of two-dimensional electron gas in (AlxGa1−x)2O3/Ga2O3 heterostructures** | `J. Appl. Phys. 132, 205701 (2022) `_ 504. | A. Wang et al. | **Roles of electrons on the thermal transport of 2D metallic MXenes** | `Phys. Rev. Materials 6, 014009 (2022) `_ 503. | F. Macheda et al. | **Electron-Phonon Interaction and Longitudinal-Transverse Phonon Splitting in Doped Semiconductors** | `Phys. Rev. Lett. 129, 185902 (2022) `_ 502. | S. Nayak et al. | **First-principles study on the superconductivity of doped zirconium diborides** | `Phys. Rev. Materials 6, 044805 (2022) `_ 501. | X.-L. Qiu et al. | **Superconductivity in monolayer Ba2N electride: First-principles study** | `Phys. Rev. B 105, 165101 (2022) `_ 500. | J. Wang et al. | **The carrier mobility of monolayer and bulk GaS: from first-principles calculations** | `Phys. Chem. Chem. Phys. 24, 21666 (2022) `_ 499. | Y. Ye et al. | **Calculating electron-phonon coupling matrix: Theory introduction, code development and preliminary application** | `Sci. China Technol. Sci. (2022) `_ 498. | H. Jeon et al. | **Electron–phonon coupling and superconductivity in an alkaline earth hydride CaH6 at high pressures** | `New J. Phys. 24, 083048 (2022) `_ 497. | M. Alidoosti et al. | **Superconducting properties of doped blue phosphorene: effects of non-adiabatic approach** | `2D Mater. 9, 045029 (2022) `_ 496. | X. Huang et al. | **Impact of electron-phonon interactions on phonon transport in diamond and c-BN** | `Diamond and Related Materials 130, 109485 (2022) `_ 495. | C. Li et al. | **Colossal phonon drag enhanced thermopower in lightly doped diamond** | `Materials Today Physics 27, 100740 (2022) `_ 494. | G. P. Kafle et al. | **Ab initio study of Li-Mg-B superconductors** | `Phys. Rev. Materials 6, 084801 (2022) `_ 493. | H. Mei et al. | **Finite-momentum excitons and the role of electron–phonon couplings in the electronic and phonon transport properties of boron arsenide** | `Phys. Chem. Chem. Phys. 24, 9384 (2022) `_ 492. | P. Tsuppayakorn-aek et al. | **Superconducting Gap of Pressure Stabilized (Al0.5Zr0.5)H3 from Ab Initio Anisotropic Migdal–Eliashberg Theory** | `ACS Omega 7, 28190 (2022) `_ 491. | M. Zacharias et al. | **Anharmonic lattice dynamics via the special displacement method** | `arXiv:2212.10633 (2022) `_ 490. | M. Dogan et al. | **High temperature superconductivity in the candidate phases of solid hydrogen** | `J. Phys.: Condens. Matter 34, 15LT01 (2022) `_ 489. | Z. Yang and H. Zhang | **Coexistence of pressure-induced superconductivity and topological surface states in elementary substance Sb** | `Phys. Rev. Materials 6, 054801 (2022) `_ 488. | J. Ma et al. | **First-principles study of the drift and Hall mobilities of perovskite BaSnO3** | `Phys. Rev. B 106, 045201 (2022) `_ 487. | J. Liang et al. | **Computational Study of the C2P4 Monolayer as a Stable Two-Dimensional Material with High Carrier Mobility: Implications for Nanoelectronic Devices** | `ACS Appl. Nano Mater. 5, 6972 (2022) `_ 486. | U. Singh et al. | **Low lattice thermal conductivity in alkali metal based Heusler alloys** | `Phys. Rev. Materials 6, 125401 (2022) `_ 485. | L. Feng et al. | **The nearly free electron states and the conductivity limited by electron–phonon scattering of an OH-terminated MXene material, a case study of the Hf2C(OH)2 monolayer** | `Phys. Chem. Chem. Phys. 24, 24219 (2022) `_ 484. | Z. Qi et al. | **Morphology and carrier mobility of high-B-content BxAl1−xN ternary alloys from an ab initio global search** | `Nanoscale 14, 11335 (2022) `_ 483. | M. Dogan et al. | **Prediction of high-temperature superconductivity in C2/c−24 solid hydrogen** | `Phys. Rev. B 105, L020509 (2022) `_ 482. | S. Poncé et al. | **Long-range electrostatic contribution to the electron-phonon couplings and mobilities of two-dimensional materials** | `arXiv:2207.10190 (2022) `_ 481. | R. Sen et al. | **Hot electron relaxation and energy loss rate in silicon: Temperature dependence and main scattering channels** | `Appl. Phys. Lett. 120, 082101 (2022) `_ 480. | X. Zhang et al. | **Pressure-dependent thermal conductivity in Al, W, and Pt: Role of electrons and phonons** | `Phys. Rev. B 106, 094313 (2022) `_ 479. | S. Li et al. | **Anomalously Isotropic Electron Transport and Weak Electron–Phonon Interactions in Hexagonal Noble Metals** | `J. Phys. Chem. Lett. 13, 4289 (2022) `_ 478. | E. Cappelluti and D. Novko | **Fingerprints of hot-phonon physics in time-resolved correlated quantum lattice dynamics** | `SciPost Phys. 12, 173 (2022) `_ 477. | B. Szpunar et al. | **Comparison of the electronic transport of ThN against ThC** | `Journal of Physics and Chemistry of Solids 165, 110647 (2022) `_ 476. | T. L. Britt et al. | **Direct View of Phonon Dynamics in Atomically Thin MoS2** | `Nano Lett. 22, 4718 (2022) `_ 475. | G. Varnavides et al. | **Mesoscopic finite-size effects of unconventional electron transport in PdCoO2** | `Phys. Rev. Materials 6, 045002 (2022) `_ 474. | S. R. Xie et al. | **Machine learning of superconducting critical temperature from Eliashberg theory** | `Npj Comput. Mater. 8, 14 (2022) `_ 473. | L. Li et al. | **Converting a Monolayered NbSe2 into an Ising Superconductor with Nontrivial Band Topology via Physical or Chemical Pressuring** | `Nano Lett. 22, 6767 (2022) `_ 472. | M. G. Rosul et al. | **Low-resistance contact in MoSe2-based solid-state thermionic devices** | `Phys. Rev. B 105, 115412 (2022) `_ 471. | M. Düvel et al. | **Far-from-Equilibrium Electron–Phonon Interactions in Optically Excited Graphene** | `Nano Lett. 22, 4897 (2022) `_ 470. | Z. Han et al. | **Raman Linewidth Contributions from Four-Phonon and Electron-Phonon Interactions in Graphene** | `Phys. Rev. Lett. 128, 045901 (2022) `_ 469. | N. Pant et al. | **Increasing the mobility and power-electronics figure of merit of AlGaN with atomically thin AlN/GaN digital-alloy superlattices** | `Appl. Phys. Lett. 121, 032105 (2022) `_ 468. | N. Girotto and D. Novko | **Dynamical renormalization of electron-phonon coupling in conventional superconductors** | `arXiv:2212.08117 (2022) `_ 467. | N. H. Protik et al. | **The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations** | `Npj Comput. Mater. 8, 28 (2022) `_ 466. | Z. S. Pereira et al. | **Strain-induced multigap superconductivity in electrene Mo2N: a first principles study** | `Nanoscale, 14, 8594 (2022) `_ 465. | C. Xia and Y. Chen | **Role of long-range interaction on the electrical transport and electron–phonon scattering in thermoelectric Mg2Si** | `Appl. Phys. Lett. 120, 263901 (2022) `_ 464. | Y. Dai et al. | **Simultaneous enhancement in electrical conductivity and Seebeck coefficient by single- to double-valley transition in a Dirac-like band** | `Npj Comput. Mater. 8, 234 (2022) `_ 463. | K. Akiba et al. | **Observation of superconductivity and its enhancement at the charge density wave critical point in LaAgSb2** | `Phys. Rev. B 106, L161113 (2022) `_ 462. | S.-F. Wang et al. | **Intrinsic Ultralow Lattice Thermal Conductivity in the Full-Heusler Compound Ba2AgSb** | `Phys. Rev. Applied 17, 034023 (2022) `_ 461. | T.-T. Gai et al. | **Van Hove singularity induced phonon-mediated superconductivity above 77 K in hole-doped SrB3C3** | `Phys. Rev. B 105, 224514 (2022) `_ 460. | Y. Su et al. | **Investigation of carrier transport behavior for cubic CH3NH3SnX3 and CH3NH3PbX3 (X=Br and I) using Boltzmann transport equation** | `Computational Materials Science 213, 111609 (2022) `_ 459. | E. A. Stepanov et al. | **Coexisting charge density wave and ferromagnetic instabilities in monolayer InSe** | `Npj Comput. Mater. 8, 118 (2022) `_ 458. | W.-H. Dong et al. | **Superconductivity and topological aspects of two-dimensional transition-metal monohalides** | `Npj Comput. Mater. 8, 185 (2022) `_ 457. | X. Yan et al. | **Enhanced superconductivity in CuH2 monolayers** | `Phys. Rev. B 106, 014514 (2022) `_ 456. | Z. Zhang et al. | **Emergent topological superconductivity in Bi-intercalated van der Waals layered SiTe2** | `Phys. Rev. B 106, 174519 (2022) `_ 455. | M. Dutta et al. | **Local Symmetry Breaking Suppresses Thermal Conductivity in Crystalline Solids** | `Angewandte Chemie. 134, e202200071 (2022) `_ 454. | J. Lafuente-Bartolome et al. | **Ab initio self-consistent many-body theory of polarons at all couplings** | `Phys. Rev. B 106, 075119 (2022) `_ 453. | C. Wang et al. | **Origin of charge density wave in the layered kagome metal CsV3Sb5** | `Phys. Rev. B 105, 045135 (2022) `_ 452. | C.-S. Lian et al. | **Intrinsic and doping-enhanced superconductivity in monolayer 1H−TaS2: Critical role of charge ordering and spin-orbit coupling** | `Phys. Rev. B 105, L180505 (2022) `_ 451. | A. Sood et al. | **Bidirectional phonon emission in two-dimensional heterostructures triggered by ultrafast charge transfer** | `Nat. Nanotechnol. (2022). `_ 450. | J. Lafuente-Bartolome et al. | **Unified Approach to Polarons and Phonon-Induced Band Structure Renormalization** | `Phys. Rev. Lett. 129, 076402 (2022) `_ 449. | C. Wang et al. | **Charge density wave and superconductivity in the kagome metal CsV3Sb5 around a pressure-induced quantum critical point** | `Phys. Rev. Materials 6, 094801 (2022) `_ 448. | C. E. P. Villegas and A. R. Rocha | **Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene** | `J. Phys. Chem. C 126, 6129 (2022) `_ 447. | H. Paudyal and E. R. Margine | **Superconducting properties in doped 2M-WS2 from first principles** | `J. Mater. Chem. C 10, 7917 (2022) `_ 446. | J. Chen and J. Gao | **Strong Electron–Phonon Coupling in 3D WN and Coexistence of Intrinsic Superconductivity and Topological Nodal Line in Its 2D Limit** | `Phys. Status Solidi RRL 16, 2100477 (2022) `_ 445. | T. Ng, Y. Luo, J. Yuan, Y. Wu, H. Yang, and L. Shen | **Origin and enhancement of the spin Hall angle in the Weyl semimetals LaAlSi and LaAlGe** | `Phys. Rev. B 104, 014412 (2021) `_ 444. | H. Seiler, D. Zahn, M. Zacharias, P. Hildebrandt, T. Vasileiadis, Y. W. Windsor, Y. Qi, C. Carbogno, C. Draxl, R. Ernstorfer, and F. Caruso | **Accessing the Anisotropic Nonthermal Phonon Populations in Black Phosphorus** | `Nano Lett. 21, 6171 (2021) `_ 443. | L. P. R. de Cotret et al. | **Direct visualization of polaron formation in the thermoelectric SnSe** | `Proc. Natl. Acad. Sci. U.S.A. 118, e2023029118 (2021) `_ 442. | J.-M. Lihm and C.-H. Park | **Wannier Function Perturbation Theory: Localized Representation and Interpolation of Wave Function Perturbation** | `Phys. Rev. X 11, 041053 (2021) `_ 441. | M. Ghim et al. | **Coexistence of spontaneous polarization and superconductivity in hole-doped oxyhydrides ATiO2H (A=K,Rb,Cs): First-principles study** | `Phys. Rev. Materials 5, 054802 (2021) `_ 440. | S. D. Cataldo et al. | **LaBH8: Towards high-Tc low-pressure superconductivity in ternary superhydrides** | `Phys. Rev. B 104, L020511 (2021) `_ 439. | M. Gao et al. | **Phonon-mediated high-temperature superconductivity in the ternary borohydride KB2H8 under pressure near 12 GPa** | `Phys. Rev. B 104, L100504 (2021) `_ 438. | V.-A. Ha et al. | **Quasiparticle Band Structure and Phonon-Induced Band Gap Renormalization of the Lead-Free Halide Double Perovskite Cs2InAgCl6** | `J. Phys. Chem. C 125, 21689 (2021) `_ 437. | J. Leveillee et al. | **Phonon-Limited Mobility and Electron–Phonon Coupling in Lead-Free Halide Double Perovskites** | `J. Phys. Chem. Lett. 12, 4474 (2021) `_ 436. | J. Park et al. | **When band convergence is not beneficial for thermoelectrics** | `Nat. Commun. 12, 3425 (2021) `_ 435. | Y. Su et al. | **Investigation of biaxial strain behavior and phonon-limited mobility for γ graphyne: First-principles calculation** | `J. Appl. Phys. 130, 195703 (2021) `_ 434. | S. Poncé et al. | **First-principles predictions of Hall and drift mobilities in semiconductors** | `Phys. Rev. Research 3, 043022 (2021) `_ 433. | P. Modak et al. | **Prediction of superconductivity at 70 K in a pristine monolayer of LiBC** | `Phys. Rev. B 104, 054504 (2021) `_ 432. | L. V. Begunovich et al. | **Single-layer polymeric tetraoxa[8]circulene modified by s-block metals: toward stable spin qubits and novel superconductors** | `Nanoscale, 13, 4799 (2021) `_ 431. | Y. Liang et al. | **A cage boron allotrope with high superconductivity at ambient pressure** | `J. Mater. Chem. C, 9, 8258 (2021) `_ 430. | N. Sanders and E. Kioupakis | **Phonon- and defect-limited electron and hole mobility of diamond and cubic boron nitride: A critical comparison** | `Appl. Phys. Lett. 119, 062101 (2021) `_ 429. | M. Zacharias and P. C. Kelires | **Quantum Confinement of Electron–Phonon Coupling in Graphene Quantum Dots** | `J. Phys. Chem. Lett. 12, 9940 (2021) `_ 428. | Z. Wang et al. | **Three-gap superconductivity in two-dimensional InB2/InB4 films** | `Phys. Rev. B 104, 174519 (2021) `_ 427. | S. M., Andrew et al. | **First-principles study of electron transport in ScN** | `Phys. Rev. B 104, 075118 (2021) `_ 426. | B. Szpunar et al. | **First principles investigation of thermal properties of thorium mononitride** | `Journal of Alloys and Compounds 879, 160467 (2021) `_ 425. | Y. Su et al. | **Stability and phonon-limited mobility for CsSnI3 and CsPbI3** | `Journal of Alloys and Compounds 889, 161723 (2021) `_ 424. | D. Wu et al. | **Enhanced superconductivity in bilayer PtTe2 by alkali-metal intercalations** | `Phys. Rev. B 103, 224502 (2021) `_ 423. | S. Lee et al. | **Oxidation-enhanced thermoelectric efficiency in a two-dimensional phosphorene oxide** | `Sci. Rep. 11, 18525 (2021) `_ 422. | Q. Xu et al. | **First-Principles Study of All Thermoelectric Properties of Si-Ge Alloys Showing Large Phonon Drag from 150 to 1100 K** | `Phys. Rev. Applied 16, 064052 (2021) `_ 421. | S. P. Keshri and A. Medhi | **Enhanced thermoelectric efficiency of monolayer InP3 under strain: a first-principles study** | `J. Phys.: Condens. Matter 33, 225701 (2021) `_ 420. | L. Cheng et al. | **Intrinsic charge carrier mobility of 2D semiconductors** | `Computational Materials Science 194, 110468 (2021) `_ 419. | M. M. Khatami et al. | **First-principles study of electronic transport in germanane and hexagonal boron nitride** | `Phys. Rev. B 104, 235424 (2021) `_ 418. | X. Yang et al. | **Tuning the phonon transport in bilayer graphene to an anomalous regime dominated by electron-phonon scattering** | `Phys. Rev. B 104, L100306 (2021) `_ 417. | Y. Falke et al. | **Coupling to zone-center optical phonons in VSe2 enhanced by charge density waves** | `Phys. Rev. B 104, 235137 (2021) `_ 416. | E. Minamitani | **Ab initio analysis for the initial process of Joule heating in semiconductors** | `Phys. Rev. B 104, 085202 (2021) `_ 415. | C. Q. Xia et al. | **Ultrafast photo-induced phonon hardening due to Pauli blocking in MAPbI3 single-crystal and polycrystalline perovskites** | `J. Phys. Mater. 4, 044017 (2021) `_ 414. | J. Cao et al. | **Electron-phonon coupling and electronic thermoelectric properties of n-type PbTe driven near the soft-mode phase transition via lattice expansion** | `Phys. Rev. B 104, 045202 (2021) `_ 413. | B. Szpunar et al. | **Electronic Transport of Uranium Mononitride** | `Journal of Modern Physics 12, 1409 (2021) `_ 412. | D. Logoteta et al. | **Intrinsic subthermionic capabilities and high performance of easy-to-fabricate monolayer metal dihalide MOSFETs** | `arXiv:2106.12077 (2021) `_ 411. | R. Lucrezi and C. Heil | **Superconductivity and strong anharmonicity in novel Nb–S phases** | `J. Phys.: Condens. Matter 33, 174001 (2021) `_ 410. | K. Kempa et al. | **Enhancement of superconductivity via resonant anti-shielding with topological plasmon-polarons** | `arXiv:2109.10247 (2021) `_ 409. | W. Zhang et al. | **Two-dimensional square-Au2S monolayer: A promising thermoelectric material with ultralow lattice thermal conductivity and high power factor** | `Chinese Phys. B 30, 077405 (2021) `_ 408. | Q.-L. Yang et al. | **Group velocity matters for accurate prediction of phonon-limited carrier mobility** | `Chinese Phys. B 30, 087201 (2021) `_ 407. | D. Nielsen et al. | **Investigating the use of HSE Hybrid Functionals to Improve Electron Transport Calculations in Si, Ge, Diamond, and SiC** | `2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), Dallas, TX, USA, 2021, pp. 133-137 `_ 406. | T. Cheng et al. | **Ellipsometric and first-principles study on temperature-dependent UV–Vis dielectric functions of GaN** | `Applied Optics 60, 6869 (2021) `_ 405. | J.-F. Zhang et al. | **First-principles study of the double-dome superconductivity in the kagome material CsV3Sb5 under pressure** | `Phys. Rev. B 104, 195130 (2021) `_ 404. | K.-C. Zhang et al. | **Thickness-dependent anisotropic transport of phonons and charges in few-layered PdSe2** | `Phys. Chem. Chem. Phys. 23, 18869 (2021) `_ 403. | J.-H. Lee and Y.-W. Son | **Gate-tunable superconductivity and charge-density wave in monolayer 1T′-MoTe2 and 1T′-WTe2** | `Phys. Chem. Chem. Phys., 23, 17279 (2021) `_ 402. | Y. Wu et al. | **Strong electron–phonon coupling influences carrier transport and thermoelectric performances in group-IV/V elemental monolayers** | `Npj Comput. Mater. 7, 145 (2021) `_ 401. | E. Osei-Agyemang et al. | **Examining the electron transport in chalcogenide perovskite BaZrS3** | `J. Mater. Chem. C 9, 3892 (2021) `_ 400. | Y. Chen et al. | **Renormalized thermoelectric figure of merit in a band-convergent Sb2Te2Se monolayer: full electron–phonon interactions and selection rules** | `J. Mater. Chem. A, 9, 16108 (2021) `_ 399. | J.-F. Zhang et al. | **First-principles study of the crystal structure, electronic structure, and transport properties of NiTe2 under pressure** | `Phys. Rev. B 104, 035111 (2021) `_ 398. | H. Mori et al. | **First-principles study of the electrical resistivity in zirconium dichalcogenides with multivalley bands: Mode-resolved analysis of electron-phonon scattering** | `Phys. Rev. B 104, 235144 (2021) `_ 397. | T.-H. Park et al. | **Maximal superconductivity in proximity to the charge density wave quantum critical point in CuxTiSe2** | `Phys. Rev. B 104, 184506 (2021) `_ 396. | Y. Quan et al. | **First-principles study of superconductivity in α and β gallium** | `Phys. Rev. B 104, 075117 (2021) `_ 395. | W. Zhang et al. | **Two-dimensional square-Au2S monolayer: A promising thermoelectric material with ultralow lattice thermal conductivity and high power factor** | `Chinese Phys. B 30, 077405 (2021) `_ 394. | A. R. T. Nugraha et al. | **Ultrafast optical absorption and coherent phonon generation in monolayer and bilayer transition metal dichalcogenides** | `J. Phys.: Conf. Ser. 1816, 012052 (2021) `_ 393. | W. J. Kim et al. | **First principles investigations of the optical selectivity of titanium carbide-based materials for concentrating solar power applications** | `J. Mater. Chem. C 9, 7591 (2021) `_ 392. | N. Gupta and R. Verma | **Thermoelectric performance of silicene under uniform biaxial strain: A first principles study** | `Superlattices and Microstructures 156, 106944 (2021) `_ 391. | J. Cui, S. Li, C. Xia, Y. Chen, and J. He | **Pressure effects on the electrical transport and anharmonic lattice dynamics of r-GeTe: A first-principles study** | `J. Materiomics (2021) `_ 390. | W. Zhang, T. Fei, T. Cheng, C. Zheng, Y. Dong, J.-Y. Yang, and L. Liu | **Doping and temperature-dependent UV-Vis optical constants of cubic SrTiO3: a combined spectroscopic ellipsometry and first-principles study** | `Opt. Mater. Express 11, 895 (2021) `_ 389. | I. Serifi, N. B. J. Kanga, L. B. Drissi, and E. H. Saidi | **Electron-phonon contribution in aluminene: Superconductive and transport properties** | `Superlattice. Microst. 151, 106822 (2021) `_ 388. | J. Leveillee, G. Volonakis, and F. Giustino | **Phonon-Limited Mobility and Electron–Phonon Coupling in Lead-Free Halide Double Perovskites** | `J. Phys. Chem. Lett. 12, 4474 (2021) `_ 387. | D. Novko, V. Despoja, M. Reutzel, A. Li, H. Petek, and B. Gumhalter | **Plasmonically assisted channels of photoemission from metals** | `Phys. Rev. B 103, 205401 (2021) `_ 386. | Z. Torbatian, D. Novko, and R. Asgari | **Hyperbolic plasmon modes in tilted Dirac cone phases of borophene** | `Phys. Rev. B 104, 075432 (2021) `_ 385. | F. Caruso, P. Amsalem, J. Ma, A. Aljarb, T. Schultz, M. Zacharias, V. Tung, N. Koch, and C. Draxl | **Two-dimensional plasmonic polarons in n-doped monolayer MoS2** | `Phys. Rev. B 103, 205152 (2021) `_ 384. | R.-Y. Zhao, X.-W. Yan, and M. Gao | **Inverted V-shaped evolution of superconducting temperature in SrBC under pressure** | `Chin. Phys. B 30, 076301 (2021) `_ 383. | Z. Dai, A. M. Schankler, L. Gao, L. Z. Tan, and A. M. Rappe | **Phonon-Assisted Ballistic Current from First-Principles Calculations** | `Phys. Rev. Lett. 126, 177403 (2021) `_ 382. | G. Sharma, V. K. Pandey, S. Datta, and P. Ghosh | **Effect of electron–phonon coupling on the transport properties of monolayers of ZrS2, BiI3 and PbI2: a thermoelectric perspective** | `Phys. Chem. Chem. Phys. (2021) `_ 381. | Z. Li, P. Graziosi, and N. Neophytou | **Deformation potential extraction and computationally efficient mobility calculations in silicon from first principles** | `Phys. Rev. B 104, 195201 (2021) `_ 380. | J.-N. Wang, X.-W. Yan, and M. Gao | **High-temperature superconductivity in SrB3C3 and BaB3C3 predicted from first-principles anisotropic Migdal-Eliashberg theory** | `Phys. Rev. B 103, 144515 (2021) `_ 379. | M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer | **Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials** | `Phys. Rev. B 104, 205109 (2021) `_ 378. | T. A. Huang, M. Zacharias, D. K. Lewis, F. Giustino, and S. Sharifzadeh | **Exciton–Phonon Interactions in Monolayer Germanium Selenide from First Principles** | `J. Phys. Chem. Lett. 12, 3802 (2021) `_ 377. | C. Q. Xia, J. Peng, S. Poncé, J. B. Patel, A. D. Wright, T. W. Crothers, M. U. Rothmann, J. Borchert, R. L. Milot, H. Kraus, Q. Lin, F. Giustino, L. M. Herz, and M. B. Johnston | **Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors** | `J. Phys. Chem. Lett. 12, 3607 (2021) `_ 376. | M. Petrov, J. Bekaert, and M. V. Milosevic | **Superconductivity in gallenene** | `2D Mater. 8, 035056 (2021) `_ 375. | M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer | **Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids** | `Phys. Rev. Lett. 127, 207401 (2021) `_ 374. | A. Kundu, X. Yang, J. Ma, T. Feng, J. Carrete, X. Ruan, G. K. H. Madsen, and W. Li | **Ultrahigh Thermal Conductivity of θ-Phase Tantalum Nitride** | `Phys. Rev. Lett. 126, 115901 (2021) `_ 373. | B.-H. Lei and D. J. Singh | **Multigap electron-phonon superconductivity in the quasi-one-dimensional pnictide K2Mo3As3** | `Phys. Rev. B 103, 094512 (2021) `_ 372. | S. Giaremis, P. Komninou, T. Karakostas, and J. Kioseoglou | **Ab Initio Study of the Electron–Phonon Coupling in Ultrathin Al Layers** | `J. Low Temp. Phys. 203, 180 (2021) `_ 371. | J.-Y. You, B. Gu, G. Su, and Y. P. Feng | **Two-dimensional topological superconductivity candidate in a van der Waals layered material** | `Phys. Rev. B 103, 104503 (2021) `_ 370. | A. P. Roy, N. Bajaj, R. Mittal, P. D. Babu, and D. Bansal | **Quasi-One-Dimensional Fermi Surface Nesting and Hidden Nesting Enable Multiple Kohn Anomalies in α-Uranium** | `Phys. Rev. Lett. 126, 096401 (2021) `_ 369. | O. Jalil, S. Ahmad, K.-W. Ang, and U. Younis | **Behaviour of induced states of substitutional and adatom impurity doping on electronic transport properties of single-layer black phosphorus** | `Physica E: LowDimens. Syst. Nanostruct. 130, 114701 (2021) `_ 368. | M. Zhu, H. Yao, L. Jiang, and Y. Zheng | **Large Intrinsic Resistivity of Monolayer Cu2Si and Fermi Surface Nesting** | `ACS Appl. Electron. Mater. 3, 1279 (2021) `_ 367. | C. Zhang, L. Cheng, and Y. Liu | **Role of flexural phonons in carrier mobility of two-dimensional semiconductors: free standing vs on substrate** | `J. Phys.: Condens. Matter 33, 234003 (2021) `_ 366. | B. Zhang, F. Guo, M. Zhu, L. Feng, and Y. Zheng | **The sensitive tunability of superconducting critical temperature in high-buckled plumbene by shifting Fermi level** | `Physica E: LowDimens. Syst. Nanostruct. 130, 114688 (2021) `_ 365. | J. Chen and Y. Ge | **Emergence of intrinsic superconductivity in monolayer W2N3** | `Phys. Rev. B 103, 064510 (2021) `_ 364. | Z. Li, M. Wu, Y.-H. Chan, and S. G. Louie | **Unmasking the Origin of Kinks in the Photoemission Spectra of Cuprate Superconductors** | `Phys. Rev. Lett. 126, 146401 (2021) `_ 363. | S. Li, X. Zhang, and H. Bao | **Thermal transport by electrons and phonons in PdTe2: an ab initio study** | `Phys. Chem. Chem. Phys. 23, 5956 (2021) `_ 362. | F. Caruso | **Nonequilibrium Lattice Dynamics in Monolayer MoS2** | `J. Phys. Chem. Lett. 12, 1734 (2021) `_ 361. | L. V. Begunovich, A. V. Kuklin, G. V. Baryshnikov, R. R. Valiev, and Hans Ågren | **Single-layer polymeric tetraoxa[8]circulene modified by s-block metals: toward stable spin qubits and novel superconductors** | `Nanoscale 13, 4799 (2021) `_ 360. | Y. Wu, B. Hou, C. Ma, J. Cao, Y. Chen, Z. Lu, H. Mei, H. Shao, Y. Xu, H. Zhu, Z. Fang, R. Zhang, and H. Zhang | **Thermoelectric performance of 2D materials: the band-convergence strategy and strong intervalley scatterings** | `Mater. Horiz. 8, 1253 (2021) `_ 359. | J. Ma, R. Yang, and H. Chen | **A large modulation of electron-phonon coupling and an emergent superconducting dome in doped strong ferroelectrics** | `Nat. Commun. 12, 2314 (2021) `_ 358. | N. Gupta and R. Verma | **First-principles study of thermoelectric transport properties in low-buckled monolayer silicene** | `Physica B: Condens. Matter 606, 412715 (2021) `_ 357. | Z. Liu and T. Luo | **Thermal transport in superconducting niobium nitride: A first-principles study** | `Appl. Phys. Lett. 118, 043102 (2021) `_ 356. | S. S. Shastri and S. K. Pandey | **Studying the lifetime of charge and heat carriers due to intrinsic scattering mechanisms in FeVSb half-Heusler thermoelectric** | `J. Phys.: Condens. Matter 33, 265702 (2021) `_ 355. | J. Cao, Y. Wu, H. Zhang, D. Logoteta, S. Zhang, and M. Pala | **Dissipative transport and phonon scattering suppression via valley engineering in single-layer antimonene and arsenene field-effect transistors** | `npj 2D Materials and Applications 5, 59 (2021) `_ 354. | A. Sharma and U. Singisetti | **Low field electron transport in α−Ga2O3: An ab initio approach** | `Appl. Phys. Lett. 118, 032101 (2021) `_ 353. | C. Wang, S. Liu, H. Jeon, S. Yi, Y. Bang, and J.-H. Cho | **Effect of hole doping on superconductivity in compressed CeH9 at high pressures** | `Phys. Rev. B 104, L020504 (2021) `_ 352. | C. v. Efferen, J. Berges, J. Hall, E. v. Loon, S. Kraus, A. Schobert, T. Wekking, F. Huttmann, E. Plaar, N. Rothenbach, K. Ollefs, L. M. Arruda, N. Brookes, G. Schoenhoff, K. Kummer, H. Wende, T. Wehling, and T. Michely | **A full gap above the Fermi level: the charge density wave of monolayer VS2** | `Nat. Commun. 12, 6837 (2021) `_ 351. | I. Prigozhin, S. Dominici, and E. Bellotti | **FBMC3D-A Large-Scale 3-D Monte Carlo Simulation Tool for Modern Electronic Devices** | `IEEE Trans. Electron Devices 68, 279 (2021) `_ 350. | G. Resende, G. Ribeiro, O. Silveira, J. Lemos, J. C. Brant, D. Rhodes, L. Balicas, M. Terrones, M. S. C. Mazzoni, C. Fantini, B. R. Carvalho, and M. A. Pimenta | **Origin of the complex Raman tensor elements in single-layer triclinic ReSe2** | `2D Mater. 8, 025002 (2021) `_ 349. | J. Ding, C. Liu, L. Xi, J. Xi, and J. Yang | **Thermoelectric transport properties in chalcogenides ZnX (X=S, Se): from the role of electron-phonon couplings** | `J. Materiomics 7, 310 (2021) `_ 348. | Z. Jing, J. Liu, N. Li, H. Wang, K. Wu, Y. Cheng, and B. Xiao | **Electron-Phonon Scattering Limited Intrinsic Electrical Conductivity of MXenes X2C (X= Ti or Mo)** | `J. Phys. D: Appl. Phys. 54, 015301 (2021) `_ 347. | C.-S. Lian, C. Si, and W. Duan | **Anisotropic Full-Gap Superconductivity in 2M-WS2 Topological Metal with Intrinsic Proximity Effect** | `Nano Lett. 21, 709 (2021) `_ 346. | X. Duan, J.-C. Ren, X. Zhang, S. Li, and W. Liu | **Room-Temperature Thermoelectric Conversion by Dipole-Enhanced Rashba Spin-Orbit Coupling** | `Cell Rep. Phys. Sci. 2, 100284 (2021) `_ 345. | W. Shi, Z. M. Wong, T. Deng, G. Wu, and S.‐W. Yang | **Unravelling the Molecular Origin of Organic Semiconductors with High‐Performance Thermoelectric Response** | `Adv. Funct. Mater. 31, 2007438 (2021) `_ 344. | Z. Liu, W. Liu, R. Zhou, S. Cai, Y. Song, Q. Yao, X. Lu, J. Liu, Z. Liu, Z. Wang, Y. Zheng, P. Wang, Z. Liu, G. Li, and D. Shen | **Electron-plasmon interaction induced plasmonic-polaron band replication in epitaxial perovskite SrIrO3 films** | `Sci. Bull. 66, 433 (2021) `_ 343. | Y. Hu, S. Li, and H. Bao | **First-principles based analysis of thermal transport in metallic nanostructures: Size effect and Wiedemann-Franz law** | `Phys. Rev. B 103, 104301 (2021) `_ 342. | D. Campi, S. Kumari, and N. Marzari | **Prediction of Phonon-Mediated Superconductivity with High Critical Temperature in the Two-Dimensional Topological Semimetal W2N3** | `Nano Lett. 21, 3435 (2021) `_ 341. | J.-Y. You, B. Gu, G. Su, and Y. P. Feng | **Two-dimensional topological superconductivity candidate in a van der Waals layered material** | `Phys. Rev. B 103, 104503 (2021) `_ 340. | T. Deng, G. Wu, W. Shi, Z. M. Wong, J.-S. Wang, and S.-W. Yang | **Ab initio dipolar electron-phonon interactions in two-dimensional materials** | `Phys. Rev. B 103, 075410 (2021) `_ 339. | Y. Gu, X. Wu, K. Jiang, and J. Hu | **BaCuS2: A Superconductor with Moderate Electron-Electron Correlation** | `Chin. Phys. Lett. 38, 017501 (2021) `_ 338. | A. M. Ganose, J. Park, A. Faghaninia, R. Woods-Robinson, K. A. Persson, and A. Jain | **Efficient calculation of carrier scattering rates from first principles** | `Nat. Commun. 12, 2222 (2021) `_ 337. | J. P. Ruf, H. Paik, N. J. Schreiber, H. P. Nair, L. Miao, J. K. Kawasaki, J. N. Nelson, B. D. Faeth, Y. Lee, B. H. Goodge, B. Pamuk, C. J. Fennie, L. F. Kourkoutis, D. G. Schlom, and K. M. Shen | **Strain-stabilized superconductivity** | `Nat. Commun. 12, 59 (2021) `_ 336. | J.-J. Zhou, J. Park, I-T. Lu, I. Maliyov, X. Tong, and M. Bernardi | **Perturbo: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics** | `Comput. Phys. Commun. 264, 107970 (2021) `_ 335. | G. B. Osterhoudt, Y. Wang, C. A. C. Garcia, V. M. Plisson, J. Gooth, C. Felser, P. Narang, and K. S. Burch | **Evidence for Dominant Phonon-Electron Scattering in Weyl Semimetal WP2** | `Phys. Rev. X 11, 011017 (2021) `_ 334. | M. Alidoosti, D. N. Esfahani, and R. Asgari | **Charge density wave and superconducting phase in monolayer InSe** | `Phys. Rev. B 103, 035411 (2021) `_ 333. | D. Yadav, F. Pauly, and M. Trushin | **Charge-carrier thermalization in bulk and monolayer CdTe from first principles** | `Phys. Rev. B 103, 125113 (2021) `_ 332. | M. Ghim, N. Sato, R. Akashi, S.-H. Jhi, and S. Tsuneyuki | **Coexistence of spontaneous polarization and superconductivity in hole-doped oxyhydrides ATiO2H (A = K, Rb, Cs ): First-principles study** | `Phys. Rev. Materials 5, 054802 (2021) `_ 331. | J. Wang, X. Sui, W. Duan, F. Liu, and B. Huang | **Density-independent plasmons for terahertz-stable topological metamaterialss** | `Proc. Natl. Acad. Sci. U.S.A. 118, e2023029118 (2021) `_ 330. | S. Yue, B. Deng, Y. Liu, Y. Quan, R. Yang, and B. Liao | **Phonon softening near topological phase transitions** | `Phys. Rev. B 102, 235428 (2020) `_ 329. | J.-F. Zhang, M. Gao, K. Liu, and Z.-Y. Lu | **First-principles study of the robust superconducting state of NbTi alloys under ultrahigh pressures** | `Phys. Rev. B 102, 195140 (2020) `_ 328. | M. E. Mliles, Y. E. Kouari, and A. Hajjaji | **Ab initio study of electron and phonon coupling in silicon** | `IOP Conf. Ser.: Mater. Sci. Eng. 948, 012005 (2020) `_ 327. | E. Emmanouilidou, S. Mardanya, J. Xing, P. V. S. Reddy, A. Agarwal, T.-R. Chang, and N. Ni | **Fermiology and type-I superconductivity in the chiral superconductor NbGe2 with Kramers-Weyl fermions** | `Phys. Rev. B 102, 235144 (2020) `_ 326. | H. T. T. Nguyen, V. T. T. Vi, T. V. Vu, N. V. Hieu, D. V. Lu, D. P. Rai, and N. T. T. Binh | **Spin-orbit coupling effect on electronic, optical, and thermoelectric properties of Janus Ga2SSe** | `RSC Adv. 10, 44785 (2020) `_ 325. | N. H. Protik and B. Kozinsky | **Electron-phonon drag enhancement of transport properties from a fully coupled ab initio Boltzmann formalism** | `Phys. Rev. B 102, 245202 (2020) `_ 324. | X. Zhou and Z. Zhang | **Electron–phonon coupling in CsPbBr3** | `AIP Adv. 10, 125015 (2020) `_ 323. | F. Macheda, S. Poncé, F. Giustino, and N. Bonini | **Theory and Computation of Hall Scattering Factor in Graphene** | `Nano Lett. 20, 8861 (2020) `_ 322. | X. Yang, A. Jena, F. Meng, S. Wen, J. Ma, X. Li, and W. Li | **Indirect electron-phonon interaction leading to significant reduction of thermal conductivity in graphene** | `Mater. Today Phys. (2020) `_ 321. | Q. Huang, J. Ma, D. Xu, R. Hu, and X. Luo | **High thermoelectric figure of merit in monolayer Tl2O from first principles** | `J. Appl. Phys. 128, 185111 (2020) `_ 320. | S. Gopalan, G. Gaddemane, M. L. V. d. Put, and M. V. Fischetti | **Theoretical study of electronic transport in monolayer SnSe** | `2020 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), Kobe, Japan, 2020, pp. 363-366 `_ 319. | D. Logoteta, J. Cao, M. Pala, P. Dollfus, Y. Lee, and G. Iannaccone | **Cold-source paradigm for steep-slope transistors based on van der Waals heterojunctions** | `Phys. Rev. Res. 2, 043286 (2020) `_ 318. | L. Cheng, C. Zhang, and Y. Liu | **Why Two-Dimensional Semiconductors Generally Have Low Electron Mobility** | `Phys. Rev. Lett. 125, 177701 (2020) `_ 317. | Z. M. Wong, T. Deng, W. Shi, G. Wu, and S.-W. Yang | **Strain Effects on the n-Type Thermoelectric Performance of the Small-Molecule Organic Semiconductor 2-5-Difluoro-7,7,8,8-Tetracyanoquinodimethane** | `ACS Appl. Energy Mater. 3, 10174 (2020) `_ 316. | Y. Quan and W. E. Pickett | **Li2xBC3 : Prediction of a second MgB2-class high-temperature superconductor** | `Phys. Rev. B 102, 144504 (2020) `_ 315. | B. Zhang, M. Zhu, Z. Liu, F. Guo, and Y. Zheng | **Temperature-dependent electron-phonon spectral function and the intrinsic resistivity of a metal: A case study of monolayer Ti2N** | `Phys. Rev. B 102, 165402 (2020) `_ 314. | Y. Zhao, C. Lian, S. Zeng, Z. Dai, S. Meng, and J. Ni | **Anomalous electronic and thermoelectric transport properties in cubic Rb3AuO antiperovskite** | `Phys. Rev. B 102, 094314 (2020) `_ 313. | R. Paul, S. X. Hu, V. V. Karasiev, S. A. Bonev, and D. N. Polsin | **Thermal effects on the electronic properties of sodium electride under high pressures** | `Phys. Rev. B 102, 094103 (2020) `_ 312. | J. Ma, F. Meng, J. He, Y. Jia, and W. Li | **Strain-Induced Ultrahigh Electron Mobility and Thermoelectric Figure of Merit in Monolayer α-Te** | `ACS Appl. Mater. Interfaces 12, 43901 (2020) `_ 311. | C. Xia, J. Cui, and Y. Chen | **Modulation of Band Alignment and Electron–Phonon Scattering in Mg3Sb2 via Pressure** | `ACS Appl. Electron. Mater. 2, 2745 (2020) `_ 310. | C. Zhang, L. Cheng, and Y. Liu | **Understanding high-field electron transport properties and strain effects of monolayer transition metal dichalcogenides** | `Phys. Rev. B 102, 115405 (2020) `_ 309. | Y. Wu, B. Hou, Y. Chen, J. Cao, C. Ma, H. Shao, Y. Zhang, Z. Lu, H. Zhu, Z. Fang, R. Zhang, and H. Zhang | **Towards Accurate Predictions of Carrier Mobilities and Thermoelectric Performances in 2D Materials** | `arXiv:2010.05219 (2020) `_ 308. | Y. Ge, W. Wan, Y. Ren, F. Li, and Y. Liu | **Phonon-limited electronic transport of two-dimensional ultrawide bandgap material h-BeO** | `Appl. Phys. Lett. 117, 123101 (2020) `_ 307. | R. D'Souza, J. Cao, J. D. Querales-Flores, S. Fahy, and I. Savić | **Electron-phonon scattering and thermoelectric transport in p-type PbTe from first principles** | `Phys. Rev. B 102, 115204 (2020) `_ 306. | C. Liu, M. Yao, J. Yang, J. Xi, and X. Ke | **Strong electron-phonon interaction induced significant reduction in lattice thermal conductivities for single-layer MoS2 and PtSSe** | `Mater. Today Phys. 15, 100277 (2020) `_ 305. | M. M. Khatami, G. Gaddemane, M. L. V. d. Put, M. K. Moravvej-Farshi, and W. G. Vandenberghe | **Electronic transport properties of hydrogenated and fluorinated graphene: a computational study** | `J. Phys.: Condens. Matter, (2020) `_ 304. | Y. Su, S. Cao, L.-B. Shi, and P. Qian | **Phonon-limited mobility for novel two-dimensional semiconductors of BC3 and C3N: First-principles calculation** | `Appl. Surf. Sci. 531, 147341 (2020) `_ 303. | S. Wen, J. Ma, A. Kundu, and W. Li | **Large lattice thermal conductivity, interplay between phonon-phonon, phonon-electron, and phonon-isotope scatterings, and electrical transport in molybdenum from first principles** | `Phys. Rev. B 102, 064303 (2020) `_ 302. | J. Liu, Y. Zhao, Z. Dai, J. Ni, and S. Meng | **Low thermal conductivity and good thermoelectric performance in mercury chalcogenides** | `Comput. Mater. Sci. 185, 109960 (2020) `_ 301. | Z. Cui, Y. Qian, W. Zhang, H. Weng, and Z. Fang | **Type-II Dirac Semimetal State in a Superconductor Tantalum Carbide** | `Chin. Phys. Lett. 37, 087103 (2020) `_ 300. | J. Ma, F. Meng, D. Xu, R. Hu, and X. Luo | **Electron mobility and mode analysis of scattering for β-Ga2sO3 from first principles** | `J. Phys.: Condens. Matter 32, 465704 (2020) `_ 299. | Z. R. Kudrynskyi, X. Wang, J. Sutcliffe, M. A. Bhuiyan, Y. Fu, Z. Yang, O. Makarovsky, L. Eaves, A. Solomon, V. T. Maslyuk, Z. D. Kovalyuk, L. Zhang, and A. Patanè | **Van der Waals SnSe2(1−x)S2x Alloys: Composition‐Dependent Bowing Coefficient and Electron–Phonon Interaction** | `Adv. Funct. Mater. 30, 1908092 (2020) `_ 298. | D. Novko, F. Caruso, C. Draxl, and E. Cappelluti | **Ultrafast Hot Phonon Dynamics in MgB2 Driven by Anisotropic Electron-Phonon Coupling** | `Phys. Rev. Lett. 124, 077001 (2020) `_ 297. | A. Anikin, R. D. Schaller, G. P. Wiederrecht, E. R. Margine, I. I. Mazin, and G. Karapetrov | **Ultrafast dynamics in the high-symmetry and in the charge density wave phase of 2H−NbSe2** | `Phys. Rev. B 102, 205139 (2020) `_ 296. | X. Liu, Z. Ding, J. Liu, W. Hu, and J. Yang | **Two-dimensional Ca4N2 as a one-dimensional electride [Ca4N2]2+·2e− with ultrahigh conductance** | `Nanoscale 12, 5578 (2020) `_ 295. | O. Jalil, S. Ahmad, X. Liu, K. W. Ang, and U. Younis | **Towards theoretical framework for probing the accuracy limit of electronic transport properties of SnSe2 using many-body calculations** | `Europhys. Lett. 130, 57001 (2020) `_ 294. | J. D. Querales-Flores, P. Aguado-Puente, Đ. Dangić, J. Cao, P. Chudzinski, T. N. Todorov, M. Grüning, S. Fahy, and I. Savić | **Towards temperature-induced topological phase transition in SnTe: A first principles study** | `Phys. Rev. B 101, 235206 (2020) `_ 293. | J. Zhang and G. Q. Huang | **The superconductivity and topological surface state of type-II Dirac semimetal NiTe2** | `J. Phys.: Condens. Matter 32, 205702 (2020) `_ 292. | D.-S. Tang, G.-Z. Qin, M. Hu, and B.-Y. Cao | **Thermal transport properties of GaN with biaxial strain and electron-phonon coupling** | `J. Appl. Phys. 127, 035102 (2020) `_ 291. | X. Gu, S. Li, and H. Bao | **Thermal conductivity of silicon at elevated temperature: Role of four-phonon scattering and electronic heat conduction** | `Int. J. Heat Mass Transfer 160, 120165 (2020) `_ 290. | S. Li, Z. Tong, X. Zhang, and H. Bao | **Thermal conductivity and Lorenz ratio of metals at intermediate temperatures with mode-level first-principles analysis** | `Phys. Rev. B 102, 174306 (2020) `_ 289. | L.-B. Shi, S. Cao, M. Yang, Q. You, K.-C. Zhang, Y. Bao, Y.-J. Zhang, Y.-Y. Niu, and P. Qian | **Theoretical prediction of intrinsic electron mobility of monolayer InSe: first-principles calculation** | `J. Phys.: Condens. Matter 32, 065306 (2020) `_ 288. | N. Mascello, N. A. Spaldin, A. Narayan, and Q. N. Meier | **Theoretical investigation of twin boundaries in WO3: Structure, properties, and implications for superconductivity** | `Phys. Rev. Research 2, 033460 (2020) `_ 287. | S. Cao, M. Yang, Q. You, L.-B. Shi, and P. Qian | **Theoretical evaluation of intrinsic mobility for two-dimensional semiconductor of BC2N: First-principles calculation** | `Physica E: LowDimens. Syst. Nanostruct. 120, 114062 (2020) `_ 286. | Y. Luo, G. Zhao, and S. Wang | **The electron–phonon scattering and carrier mobility in monolayer AsSb** | `Phys. Chem. Chem. Phys. 22, 5688 (2020) `_ 285. | H. Paudyal, S. Poncé, F. Giustino, and E. R. Margine | **Superconducting properties of MoTe2 from ab initio anisotropic Migdal-Eliashberg theory** | `Phys. Rev. B 101, 214515 (2020) `_ 284. | S. Poncé and F. Giustino | **Structural, electronic, elastic, power, and transport properties of β−Ga2O3 from first principles** | `Phys. Rev. Res. 2, 033102 (2020) `_ 283. | J.-Y. Yang, W. Zhang, C. Xu, J. Liu, L. Liu, and M. Hu | **Strong electron-phonon coupling induced anomalous phonon transport in ultrahigh temperature ceramics ZrB2 and TiB2** | `Int. J. Heat Mass Transfer 152, 119481 (2020) `_ 282. | M. Gao, X.-W. Yan, Z.-Y. Lu, and T. Xiang | **Strong-coupling superconductivity in LiB2C2 trilayer films** | `Phys. Rev. B 101, 094501 (2020) `_ 281. | X.-Q. Lu, P.-J. Guo, J.-F. Zhang, K. Liu, and Z.-Y. Lu | **SrPd, a candidate material with extremely large magnetoresistance** | `Phys. Rev. B 101, 165115 (2020) `_ 280. | X. Liang, A. Bergara, Y. Xie, L. Wang, R. Sun, Y. Gao, X.-F. Zhou, B. Xu, J. He, D. Yu, G. Gao, and Y. Tian | **Prediction of superconductivity in pressure-induced new silicon boride phases** | `Phys. Rev. B 101, 014112 (2020) `_ 279. | L.-B. Shi, M. Yang, S. Cao, Q. You, Y.-J. Zhang, M. Qi, K.-C. Zhang, and P. Qian | **Prediction of high carrier mobility for a novel two-dimensional semiconductor of BC6N: first principles calculations** | `J. Mater. Chem. C 8, 5882 (2020) `_ 278. | F. Caruso, D. Novko, and C. Draxl | **Photoemission signatures of nonequilibrium carrier dynamics from first principles** | `Phys. Rev. B 101, 035128 (2020) `_ 277. | G. Brunin, H. P. C. Miranda, M. Giantomassi, M. Royo, M. Stengel, M. J. Verstraete, X. Gonze, G.-M. Rignanese, and G. Hautier | **Phonon-limited electron mobility in Si, GaAs, and GaP with exact treatment of dynamical quadrupoles** | `Phys. Rev. B 102, 094308 (2020) `_ 276. | B. Song, K. Chen, K. Bushick, K. A. Mengle, F. Tian, G. A. G. U. Gamage, Z. Ren, E. Kioupakis, and G. Chen | **Optical properties of cubic boron arsenide** | `Appl. Phys. Lett. 116, 141903 (2020) `_ 275. | C. Wang, S. Yi, and J.-H. Cho | **Multiband nature of room-temperature superconductivity in LaH10 at high pressure** | `Phys. Rev. B 101, 104506 (2020) `_ 274. | Y. Zhao, C. Lian, S. Zeng, Z. Dai, S. Meng, and J. Ni | **MgB4 trilayer film: A four-gap superconductor** | `Phys. Rev. B 101, 104507 (2020) `_ 273. | W. Li and F. Giustino | **Many-body renormalization of the electron effective mass of InSe** | `Phys. Rev. B 101, 035201 (2020) `_ 272. | Z. Torbatian, M. Alidoosti, D. Novko, and R. Asgari | **Low-loss two-dimensional plasmon modes in antimonene** | `Phys. Rev. B 101, 205412 (2020) `_ 271. | Y. Ge, W. Wan, Y. Ren, and Y. Liu | **Large thermoelectric power factor of high-mobility transition-metal dichalcogenides with 1T′′ phase** | `Phys. Rev. Res. 2, 013134 (2020) `_ 270. | M. Yang, S. Cao, Q. You, L.-B. Shi, and P. Qian | **Intrinsic carrier mobility of monolayer GeS and GeSe: First-principles calculation** | `Physica E: LowDimens. Syst. Nanostruct. 118, 113877 (2020) `_ 269. | L. J. Evitts, S. C. Middleburgh, E. Kardoulaki, I. Ipatova, M. J. D. Rushton, W. E. Lee | **Influence of boron isotope ratio on the thermal conductivity of uranium diboride (UB2) and zirconium diboride (ZrB2)** | `J. Nucl. Mater. 528, 151892 (2020) `_ 268. | G. Sharma and K. C. Bhamu | **Impressive Electronic Transport in Be2C Monolayer Limited by Phonon** | `arXiv:2003.07400 (2020) `_ 267. | J. Park, Y. Xia, A. M. Ganose, A. Jain, and V. Ozoliņš | **High Thermoelectric Performance and Defect Energetics of Multipocketed Full Heusler Compounds** | `Phys. Rev. Appl. 14, 024064 (2020) `_ 266. | J. Ma, A. S. Nissimagoudar, S. Wang, and W. Li | **High Thermoelectric Figure of Merit of Full‐Heusler Ba2AuX (X = As, Sb, and Bi)** | `Phys. Status Solidi RRL 14, 2000084 (2020) `_ 265. | Z. M. Wong, T. Deng, W. Shi, G. Wu, T. L. Tan, and S. Yang | **High Performance Photocatalytic and Thermoelectric Two-Dimensional Asymmetrically Ordered Janus-like MXene Alloy** | `Mater. Adv. 1, 1176 (2020) `_ 264. | K.-C. Zhang, Y.-F. Li, Y. Liu, and Y. Zhu | **First-principles study on the anisotropic transport of electrons and phonons in monolayer and bulk GaTe: A comparative study** | `Phys. Chem. Chem. Phys. 22, 15270 (2020) `_ 263. | W. Wang, Y. Kang, H. Peelaers, K. Krishnaswamy, and C. G. V. d. Walle | **First-principles study of transport in WO3** | `Phys. Rev. B 101, 045116 (2020) `_ 262. | J.-F. Zhang, P.-J. Guo, M. Gao, K. Liu, and Z.-Y. Lu | **First-principles study of electron-phonon coupling and magnetoresistance of LaBi under pressure** | `Phys. Rev. B 101, 155139 (2020) `_ 261. | B. Szpunar, J. I. Ranasinghe, L. Malakkal, and J. A. Szpunar | **First principles investigation of thermal transport of uranium mononitride** | `J. Phys. Chem. Solids 146, 109636 (2020) `_ 260. | X.-T. Jin, X.-W. Yan, and M. Gao | **First-principles calculations of monolayer hexagonal boron nitride: Possibility of superconductivity** | `Phys. Rev. B 101, 134518 (2020) `_ 259. | J. Ma, D. Xu, R. Hu, and X. Luo | **Examining two-dimensional Fröhlich model and enhancing the electron mobility of monolayer InSe by dielectric engineering** | `J. Appl. Phys. 128, 035107 (2020) `_ 258. | R. Debnath, I. Maity, R. Biswas, V. Raghunathan, M. Jain, and A. Ghosh | **Evolution of high-frequency Raman modes and their doping dependence in twisted bilayer MoS2** | `Nanoscale 12, 17272 (2020) `_ 257. | T. Deng, G. Wu, M. B. Sullivan, Z. M. Wong, K. Hippalgaonkar, J.-S. Wang, and S.-W. Yang | **EPIC STAR: a reliable and efficient approach for phonon- and impurity-limited charge transport calculations** | `Npj Comput. Mater. 6, 46 (2020) `_ 256. | F. Zheng, X.-B. Li, P. Tan, Y. Lin, L. Xiong, X. Chen, and J. Feng | **Emergent superconductivity in two-dimensional NiTe2 crystals** | `Phys. Rev. B 101, 100505(R) (2020) `_ 255. | X. Bu and S. Wang | **Electron–phonon scattering and mean free paths in D-carbon** | `Phys. Chem. Chem. Phys. 22, 4010 (2020) `_ 254. | X. Bu and S. Wang | **Electron–phonon scattering and excitonic effects in T-carbon** | `RSC Adv. 10, 24515 (2020) `_ 253. | A. N. Rudenko and S. Yuan | **Electron-phonon interaction and zero-field charge carrier transport in the nodal-line semimetal ZrSiS** | `Phys. Rev. B 101, 115127 (2020) `_ 252. | A. Giri, M. V. Tokina, O. V. Prezhdo, and P. E. Hopkins | **Electron–phonon coupling and related transport properties of metals and intermetallic alloys from first principles** | `Mater. Today Phys. 12, 100175 (2020) `_ 251. | M. D. Santia, D. C. Look, and S. C. Badescu | **Electron–phonon coupling and electron mobility in degenerately doped oxides from first-principles** | `Opt. Eng. 59, 067103 (2020) `_ 250. | G. Brunin, H. P. C. Miranda, M. Giantomassi, M. Royo, M. Stengel, M. J. Verstraete, X. Gonze, G.-M. Rignanese, and G. Hautier | **Electron-Phonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids** | `Phys. Rev. Lett. 125, 136601 (2020) `_ 249. | C. Xia, J. Cui, and Y. Chen | **Effect of group-3 elements doping on promotion of in-plane Seebeck coefficient of n-type Mg3Sb2** | `J. Materiomics 6, 274 (2020) `_ 248. | Y. Ge, W. Wan, X. Guo, and Y. Liu | **Direct and indirect optical absorptions of cubic BAs and BSb** | `Opt. Exp. 28, 238 (2020) `_ 247. | J. I. Ranasinghe, L. Malakkal, E. Jossou, B. Szpunar, and J. A. Szpunar | **Density functional theory study of the structural, mechanical and thermal conductivity of uranium dialuminide (UAl2)** | `J. Nucl. Mater. 540, 152359 (2020) `_ 246. | B. Dongre, J. Carrete, S. Wen, J. Ma, W. Li, N. Mingo, and G. K. H. Madsen | **Combined treatment of phonon scattering by electrons and point defects explains the thermal conductivity reduction in highly-doped Si** | `J. Mater. Chem. A 8, 1273 (2020) `_ 245. | D. Novko | **Broken adiabaticity induced by Lifshitz transition in MoS2 and WS2 single layers** | `Commun. Phys. 3, 30 (2020) `_ 244. | V.-A. Ha, B. Karasulu, R. Maezono, G. Brunin, J. B. Varley, G.-M. Rignanese, B. Monserrat, and G. Hautier | **Boron phosphide as a \emph{p}-type transparent conductor: Optical absorption and transport through electron-phonon coupling** | `Phys. Rev. Mater. 4, 065401 (2020) `_ 243. | K. Bushick, S. Chae, Z. Deng, J. T. Heron, and E. Kioupakis | **Boron arsenide heterostructures: lattice-matched heterointerfaces and strain effects on band alignments and mobility** | `Npj Comput. Mater. 6, 3 (2020) `_ 242. | A. S. Chaves, A. Antonelli, D. T. Larson, and E. Kaxiras | **Boosting the efficiency of ab initio electron-phonon coupling calculations through dual interpolation** | `Phys. Rev. B 102, 125116 (2020) `_ 241. | T. Deng, X. Yong, W. Shi, Z. M. Wong, G. Wu, H. Pan, J.-S. Wang, and S.-W. Yang | **Beyond the Mahan–Sofo best thermoelectric strategy: high thermoelectric performance from directional π-conjugation in two-dimensional poly(tetrathienoanthracene)** | `J. Mater. Chem. A 8, 4257 (2020) `_ 240. | N. Briggs, B. Bersch, Y. Wang, J. Jiang, R. J. Koch, N. Nayir, K. Wang, M. Kolmer, W. Ko, A. D. L. F. Duran, S. Subramanian, C. Dong, J. Shallenberger, M. Fu, Q. Zou, Y.-W. Chuang, Z. Gai, A.-P. Li, A. Bostwick, C. Jozwiak, C.-Z. Chang, E. Rotenberg, J. Zhu, A. C. T. v. Duin, V. Crespi, and J. A. Robinson | **Atomically thin half-van der Waals metals enabled by confinement heteroepitaxy** | `Nat. Mater. 19, 637 (2020) `_ 239. | S. Li, A. Wang, Y. Hu, X. Gu, Z. Tong, and H. Bao | **Anomalous thermal transport in metallic transition-metal nitrides originated from strong electron-phonon interactions** | `arXiv:2006.15492 (2020) `_ 238. | H. Liu, C. Yang, B. Wei, L. Jin, A. Alatas, A. Said, S. Tongay, F. Yang, A. Javey, J. Hong, and J. Wu | **Anomalously Suppressed Thermal Conduction by Electron‐Phonon Coupling in Charge‐Density‐Wave Tantalum Disulfide** | `Adv. Sci. 7, 1902071 (2020) `_ 237. | A. Kundu, J. Ma, J. Carrete, G. K. H. Madsen, and W. Li | **Anomalously large lattice thermal conductivity in metallic tungsten carbide and its origin in the electronic structure** | `Mater. Today Phys. 13, 100214 (2020) `_ 236. | F. Meng, S. Sun, J. Ma, C. Chronister, J. He, and W. Li | **Anisotropic thermoelectric figure-of-merit in Mg3Sb2** | `Mater. Today Phys. 13, 100217 (2020) `_ 235. | K. Yuan, Z. Sun, X. Zhang, X. Gong, and D. Tang | **A first-principles study of the thermoelectric properties of rhombohedral GeSe** | `Phys. Chem. Chem. Phys. 22, 1911 (2020) `_ 234. | J. Berges, E. G. C. P. v. Loon, A. Schobert, M. Rösner, and T. O. Wehling | **Ab initio phonon self-energies and fluctuation diagnostics of phonon anomalies: Lattice instabilities from Dirac pseudospin physics in transition metal dichalcogenides** | `Phys. Rev. B 101, 155107 (2020) `_ 233. | K. Bushick, K. A. Mengle, S. Chae, and E. Kioupakis | **Electron and hole mobility of rutile GeO2 from first principles: An ultrawide-bandgap semiconductor for power electronics** | `Appl. Phys. Lett. 117, 182104 (2020) `_ 232. | D. Yadav, M. Trushin, and F. Pauly | **Thermalization of photoexcited carriers in two-dimensional transition metal dichalcogenides and internal quantum efficiency of van der Waals heterostructures** | `Phys. Rev. Research 2, 043051 (2020) `_ 231. | Y. Ge and T. S. Fisher | **Photoconductivity calculations of bilayer graphene from first principles and deformation-potential approach** | `Phys. Rev. B 101, 235429 (2020) `_ 230. | H. Chandrasekar, J. N. Cheng, T. S. Wang, Z. B. Xia, N. G. Combs, C. R. Freeze, P. B. Marshall, J. McGlone, A. Arehart, S. Ringel, A. Janotti, S. Stemmer, W. Lu, and S. Rajan | **Velocity saturation in La-doped BaSnO3 thin films** | `Appl. Phys. Lett. 115, 092102 (2019) `_ 229. | V. Askarpour and J. Maassen | **Unusual thermoelectric transport anisotropy in quasi-two-dimensional rhombohedral GeTe** | `Phys. Rev. B 100, 075201 (2019) `_ 228. | W. Shi, T. Deng, G. Wu, K. Hippalgaonkar, J.‐S. Wang, and S.‐W. Yang | **Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small‐Molecule Organic Semiconductors** | `Adv. Mater. 31, 1901956 (2019) `_ 227. | Y. Chen, J. Ma, and W. Li | **Understanding the thermal conductivity and Lorenz number in tungsten from first principles** | `Phys. Rev. B 99, 020305(R) (2019) `_ 226. | S. M. O’Mahony, F. Murphy-Armando, É. D. Murray, J. D. Querales-Flores, I. Savić, and S. Fahy | **Ultrafast Relaxation of Symmetry-Breaking Photo-Induced Atomic Forces** | `Phys. Rev. Lett. 123, 087401 (2019) `_ 225. | Y. Zhao, C. Lian, S. Zeng, Z. Dai, S. Meng, and J. Ni | **Two-gap and three-gap superconductivity in AlB2-based films** | `Phys. Rev. B 100, 094516 (2019) `_ 224. | T. Deng, X. Yong, W. Shi, C. K. Gan, W. Li, K. Hippalgaonkar, J.‐C. Zheng, X. Wang, S.‐W. Yang, J.‐S. Wang, and G. Wu | **2D Single‐Layer π‐Conjugated Nickel Bis(dithiolene) Complex: A Good‐Electron‐Poor‐Phonon Thermoelectric Material** | `Adv. Electron. Mater. 5, 1800892 (2019) `_ 223. | A. Jena and W. Li | **Transport phenomena in a free-standing two-dimensional sodium sheet** | `arXiv:1908.02431 (2019) `_ 222. | L. Aggarwal, C. Singh, M. Aslam, R. Singha, A. Pariari, S. Gayen, M. Kabir, P. Mandal, and G. Sheet | **Tip-induced superconductivity coexisting with preserved topological properties in line-nodal semimetal ZrSiS** | `J. Phys.: Condens. Matter 31, 485707 (2019) `_ 221. | E. A. Moujaes and W. A. Diery | **Thermoelectric properties of 1 T monolayer pristine and Janus Pd dichalcogenides** | `J. Phys.: Condens. Matter 31, 455502 (2019) `_ 220. | N. T. Hung, A. R. T. Nugraha, T. Yang, Z. Zhang, and R. Saito | **Thermoelectric performance of monolayer InSe improved by convergence of multivalley bands** | `J. Appl. Phys. 125, 082502 (2019) `_ 219. | F. Caruso, M. Troppenz, S. Rigamonti, and C. Draxl | **Thermally enhanced Fröhlich coupling in SnSe** | `Phys. Rev. B 99, 081104(R) (2019) `_ 218. | C. Liu, J. Yang, J. Xi, and X. Ke | **The origin of intrinsic charge transport for Dirac carbon sheet materials: roles of acetylenic linkage and electron–phonon couplings** | `Nanoscale 11, 10828 (2019) `_ 217. | L. Cheng, C. Zhang, and Y. Liu | **The Optimal Electronic Structure for High-Mobility 2D Semiconductors: Exceptionally High Hole Mobility in 2D Antimony** | `J. Am. Chem. Soc. 141, 16296 (2019) `_ 216. | S. Li, Z. Tong, and H. Bao | **The lattice and electronic thermal conductivity of doped SnSe: a first-principles study** | `arXiv:1902.00178 (2019) `_ 215. | M. Xu, J. Yang, and L. Liu | **Temperature-dependent optical and electrical properties of bulk Ti2AlC and two-dimensional MXenes from first-principles** | `Physica B 560, 146 (2019) `_ 214. | G. Q. Huang and W. Xia | **Superconductivity in ultrathin Pb/MoTe2 heterostructure** | `Solid State Commun. 288, 60 (2019) `_ 213. | C. Heil, S. d. Cataldo, G. B. Bachelet, and L. Boeri | **Superconductivity in sodalite-like yttrium hydride clathrates** | `Phys. Rev. B 99, 220502(R) (2019) `_ 212. | A. P. Durajski, K. M. Skoczylas, and R. Szczȩśniak | **Superconductivity in bilayer graphene intercalated with alkali and alkaline earth metals** | `Phys. Chem. Chem. Phys. 21, 5925 (2019) `_ 211. | S. S. Ghosh, Y. Quan, and W. E. Pickett | **Strong particle-hole asymmetry in a 200 Kelvin superconductor** | `Phys. Rev. B 100, 094521 (2019) `_ 210. | A. V. Lugovskoi, M. I. Katsnelson, and A. N. Rudenko | **Strong Electron-Phonon Coupling and its Influence on the Transport and Optical Properties of Hole-Doped Single-Layer InSe** | `Phys. Rev. Lett. 123, 176401 (2019) `_ 209. | C.-S. Lian, C. Si, and W. Duan | **Single anisotropic gap superconductivity and proximity effect in PbTaSe2** | `Phys. Rev. B 100, 235420 (2019) `_ 208. | A. Jena and W. Li | **Significant reduction of lattice thermal conductivity in suspended graphene by charge doping** | `arXiv:1908.02433 (2019) `_ 207. | S. Huang, Z. Wang, R. Xiong, H. Yu, and J. Shi | **Significant enhancement in thermoelectric performance of Mg3Sb2 from bulk to two-dimensional mono layer** | `Nano Energy 62, 212 (2019) `_ 206. | S. Poncé, D. Jena, and F. Giustino | **Route to High Hole Mobility in GaN via Reversal of Crystal-Field Splitting** | `Phys. Rev. Lett. 123, 096602 (2019) `_ 205. | S. Li, Z. Tong, and H. Bao | **Resolving different scattering effects on the thermal and electrical transport in doped SnSe** | `J. Appl. Phys. 126, 025111 (2019) `_ 204. | Y. Sun, Z. Shuai, and D. Wang | **Reducing Lattice Thermal Conductivity of the Thermoelectric SnSe Monolayer: Role of Phonon–Electron Coupling** | `J. Phys. Chem. C 123, 12001 (2019) `_ 203. | C. Wang, S. Yi, and J.-H. Cho | **Pressure dependence of the superconducting transition temperature of compressed LaH10** | `Phys. Rev. B 100, 060502(R) (2019) `_ 202. | W. H. Sio, C. Verdi, S. Poncé, and F. Giustino | **Polarons from First Principles, without Supercells** | `Phys. Rev. Lett. 122, 246403 (2019) `_ 201. | D. Yadav, M. Trushin, and F. Pauly | **Photocarrier thermalization bottleneck in graphene** | `Phys. Rev. B 99, 155410 (2019) `_ 200. | F. Meng, J. Ma, J. He, and W. Li | **Phonon-limited carrier mobility and temperature-dependent scattering mechanism of 3C-SiC from first principles** | `Phys. Rev. B 99, 045201 (2019) `_ 199. | S. Poncé, M. Schlipf, and F. Giustino | **Origin of Low Carrier Mobilities in Halide Perovskites** | `ACS Energy Lett. 4, 456 (2019) `_ 198. | Y. Zhao, J.-J. Zhang, S. Yuan, and Z. Chen | **Nonvolatile Electrical Control and Heterointerface‐Induced Half‐Metallicity of 2D Ferromagnets** | `Adv. Funct. Mater. 29, 1901420 (2019) `_ 197. | S. Gopalan, G. Gaddemane, M. L. V. d. Put, and M. V. Fischetti | **Monte Carlo Study of Electronic Transport in Monolayer InSe** | `Materials 12, 4210 (2019) `_ 196. | Y. Xia, J. Park, V. Ozoliņš, and C. Wolverton | **Leveraging electron-phonon interaction to enhance the thermoelectric power factor in graphene-like semimetals** | `Phys. Rev. B 100, 201401(R) (2019) `_ 195. | S. P. Keshri and A. Medhi | **Intrinsically high thermoelectric figure of merit of half-Heusler ZrRuTe** | `arXiv:1912.03883 (2019) `_ 194. | L. Cheng, C. Zhang, and Y. Liu | **How to resolve a phonon-associated property into contributions of basic phonon modes** | `J. Phys.: Mater. 2, 045005 (2019) `_ 193. | M. V. Fischetti, P. D. Yoder, M. M. Khatami, G. Gaddemane, and M. L. V. d. Put | **“Hot electrons in Si lose energy mostly to optical phonons”: Truth or myth?** | `Appl. Phys. Lett. 114, 222104 (2019) `_ 192. | S. Poncé, D. Jena, and F. Giustino | **Hole mobility of strained GaN from first principles** | `Phys. Rev. B 100, 085204 (2019) `_ 191. | Y. Xia, J. Park, F. Zhou, and V. Ozoliņš | **High Thermoelectric Power Factor in Intermetallic CoSi Arising from Energy Filtering of Electrons by Phonon Scattering** | `Phys. Rev. Appl. 11, 024017 (2019) `_ 190. | J. Park, Y. Xia, and V. Ozoliņš | **High Thermoelectric Power Factor and Efficiency from a Highly Dispersive Band in Ba2BiAu** | `Phys. Rev. Appl. 11, 014058 (2019) `_ 189. | Z. Z. Zhou, H. J. Liu, D. D. Fan, G. H. Cao, and C. Y. Sheng | **High thermoelectric performance in the hexagonal bilayer structure consisting of light boron and phosphorus elements** | `Phys. Rev. B 99, 085410 (2019) `_ 188. | Z. Z. Zhou, D. D. Fan, H. J. Liu, and J. Liu | **High figure-of-merit in the heavy-fermion UN2 system for radioisotope thermoelectric applications** | `arXiv:1912.11766 (2019) `_ 187. | A. Giri, J. T. Gaskins, L. Li, Y.-S. Wang, O. V. Prezhdo, and P. E. Hopkins | **First-principles determination of the ultrahigh electrical and thermal conductivity in free-electron metals via pressure tuning the electron-phonon coupling factor** | `Phys. Rev. B 99, 165139 (2019) `_ 186. | Z. Liu, M. Zhu, and Y. Zheng | **First-principles calculations on the intrinsic resistivity of borophene: anisotropy and temperature dependence** | `J. Mater. Chem. C 7, 986 (2019) `_ 185. | Z. Liu, M. Zhu, and Y. Zheng | **Fermi surface nesting and intrinsic resistivity of beryllium: First-principles calculations** | `Phys. Rev. B 100, 045145 (2019) `_ 184. | J. Hall, N. Ehlen, J. Berges, E. v. Loon, C. v. Efferen, C. Murray, M. Rösner, J. Li, B. V. Senkovskiy, M. Hell, M. Rolf, T. Heider, M. C. Asensio, J. Avila, L. Plucinski, T. Wehling, A. Grüneis, and T. Michely | **Environmental Control of Charge Density Wave Order in Monolayer 2H-TaS2** | `ACS Nano 13, 10210 (2019) `_ 183. | X. Zhang, M. Zhao, and F. Liu | **Enhancing superconductivity in bulk β−Bi2Pd by negative pressure induced by quantum electronic stress** | `Phys. Rev. B 100, 104527 (2019) `_ 182. | R. Guo, X. Bu, S. Wang, and G. Zhao | **Enhanced electron–phonon scattering in Janus MoSSe** | `New J. Phys. 21, 113040 (2019) `_ 181. | J. Fang, M. V. Fischetti, R. D. Schrimpf, R. A. Reed, E. Bellotti, and S. T. Pantelides | **Electron Transport Properties of AlxGa1−xN/GaN Transistors Based on First-Principles Calculations and Boltzmann-Equation Monte Carlo Simulations** | `Phys. Rev. Appl. 11, 044045 (2019) `_ 180. | F. Guo, Z. Liu, M. Zhu, and Y. Zheng | **Electron–phonon scattering limited hole mobility at room temperature in a MoS2 monolayer: first-principles calculations** | `Phys. Chem. Chem. Phys. 21, 22879 (2019) `_ 179. | A. V. Lugovskoi, M. I. Katsnelson, and A. N. Rudenko | **Electron-phonon properties, structural stability, and superconductivity of doped antimonene** | `Phys. Rev. B 99, 064513 (2019) `_ 178. | S. K. Mahatha, A. S. Ngankeu, N. F. Hinsche, I. Mertig, K. Guilloy, P. L. Matzen, M. Bianchi, C. E. Sanders, J. A. Miwa, H. Bana, E. Travaglia, P. Lacovig, L. Bignardi, D. Lizzit, R. Larciprete, A. Baraldi, S. Lizzit, and P. Hofmann | **Electron–phonon coupling in single-layer MoS2** | `Surf. Sci. 681, 64 (2019) `_ 177. | C.-C. Lei, M. Gao, and X.-W. Yan | **Electron-phonon coupling in FeB4 reexamined by maximally localized Wannier functions** | `Physica C 563, 36 (2019) `_ 176. | M. Gao, X.-W. Yan, J. Wang, Z.-Y. Lu, and T. Xiang | **Electron-phonon coupling in a honeycomb borophene grown on Al(111) surface** | `Phys. Rev. B 100, 024503 (2019) `_ 175. | F. Zheng and J. Feng | **Electron-phonon coupling and the coexistence of superconductivity and charge-density wave in monolayer NbSe2** | `Phys. Rev. B 99, 161119(R) (2019) `_ 174. | M. M. Khatami, G. Gaddemane, M. L. V. d. Put, M. V. Fischetti, M. K. Moravvej-Farshi, M. Pourfath, and W. G. Vandenberghe | **Electronic Transport Properties of Silicane Determined from First Principles** | `Materials 12, 2935 (2019) `_ 173. | T. A. Mellan, A. Aziz, Y. Xia, R. Grau-Crespo, and A. I. Duff | **Electron and phonon interactions and transport in the ultrahigh-temperature ceramic ZrC** | `Phys. Rev. B 99, 094310 (2019) `_ 172. | F. Guo, Z. Liu, M. Zhu, and Y. Zheng | **Effects of uniaxial tensile strain on the electron–phonon scattering limited carrier mobility in an n-type monolayer MoS2 at room temperature: first-principles calculations** | `J. Phys.: Condens. Matter 31, 295502 (2019) `_ 171. | N. Tandon, L. R. Ram-Mohan, and J. D. Albrecht | **Effect of hydrostatic pressure on the electron-phonon scattering in GaAs** | `J. Appl. Phys. 126, 015701 (2019) `_ 170. | Z. D. Gerbi and P. Singh | **Effect of hydrostatic pressure on superconductivity of MgB2** | `AIP Adv. 9, 095038 (2019) `_ 169. | Q. Xu, J. Zhou, T.-H. Liu, and G. Chen | **Effect of electron-phonon interaction on lattice thermal conductivity of SiGe alloys** | `Appl. Phys. Lett. 115, 023903 (2019) `_ 168. | E. Osei‐Agyemang, C. E. Adu, and G. Balasubramanian | **Doping and Anisotropy–Dependent Electronic Transport in Chalcogenide Perovskite CaZrSe3 for High Thermoelectric Efficiency** | `Adv. Theor. Simul. 2, 1900060 (2019) `_ 167. | W. Li, S. Poncé, and F. Giustino | **Dimensional crossover in the carrier mobility of two-dimensional semiconductors: The case of InSe** | `Nano Lett. 19, 1774 (2019) `_ 166. | N. T. Hung, A. R. T. Nugraha, and R. Saito | **Designing high-performance thermoelectrics in two-dimensional tetradymites** | `Nano Energy 58, 743 (2019) `_ 165. | Z. Zhou, H. Liu, D. Fan, and G. Cao | **Designing graphene/hexagonal boron nitride superlattice monolayer with high thermoelectric performance** | `arXiv:1905.12992 (2019) `_ 164. | J. He, Y. Xia, S. S. Naghavi, V. Ozoliņš, and C. Wolverton | **Designing chemical analogs to PbTe with intrinsic high band degeneracy and low lattice thermal conductivity** | `Nat. Commun. 10, 719 (2019) `_ 163. | S.-Y. Yue, R. Yang, and B. Liao | **Controlling thermal conductivity of two-dimensional materials via externally induced phonon-electron interaction** | `Phys. Rev. B 100, 115408 (2019) `_ 162. | V.-A. Ha, G. Yu, F. Ricci, D. Dahliah, M. J. v. Setten, M. Giantomassi, G.-M. Rignanese, and G. Hautier | **Computationally driven high-throughput identification of CaTe and Li3Sb as promising candidates for high-mobility p-type transparent conducting materials** | `Phys. Rev. Mater. 3, 034601 (2019) `_ 161. | Y. Quan, S. S. Ghosh, and W. E. Pickett | **Compressed hydrides as metallic hydrogen superconductors** | `Phys. Rev. B 100, 184505 (2019) `_ 160. | Z. Tong, S. Li, X. Ruan, and H. Bao | **Comprehensive first-principles analysis of phonon thermal conductivity and electron-phonon coupling in different metals** | `Phys. Rev. B 100, 144306 (2019) `_ 159. | Y. Chen, J. Ma, S. Wen, and W. Li | **Body-centered-cubic structure and weak anharmonic phonon scattering in tungsten** | `Npj Comput. Mater. 5, 98 (2019) `_ 158. | J.-F. Zhang, P.-J. Guo, M. Gao, K. Liu, and Z.-Y. Lu | **β–RhPb2: A topological superconductor candidate** | `Phys. Rev. B 99, 045110 (2019) `_ 157. | C. Kumarasinghe and N. Neophytou | **Band alignment and scattering considerations for enhancing the thermoelectric power factor of complex materials: The case of Co-based half-Heusler alloys** | `Phys. Rev. B 99, 195202 (2019) `_ 156. | J. Wang, X. Sui, S. Gao, W. Duan, F. Liu, and B. Huang | **Anomalous Dirac Plasmons in 1D Topological Electrides** | `Phys. Rev. Lett. 123, 206402 (2019) `_ 155. | Y. Huang, J. Zhou, G. Wang, and Z. Sun | **Abnormally Strong Electron–Phonon Scattering Induced Unprecedented Reduction in Lattice Thermal Conductivity of Two-Dimensional Nb2C** | `J. Am. Chem. Soc. 141, 8503 (2019) `_ 154. | W. H. Sio, C. Verdi, S. Poncé, and F. Giustino | **Ab initio theory of polarons: Formalism and applications** | `Phys. Rev. B 99, 235139 (2019) `_ 153. | J. Liu, Y. Zhao, C. Lian, Z. Dai, J.-T. Sun, and S. Meng | **Ab initio study on anisotropic thermoelectric transport in ternary pnictide KZnP** | `J. Phys.: Mater. 2, 024001 (2019) `_ 152. | L. Cheng and Y. Liu | **What Limits the Intrinsic Mobility of Electrons and Holes in Two Dimensional Metal Dichalcogenides?** | `J. Am. Chem. Soc. 140, 17895 (2018) `_ 151. | J. Ying, H. Paudyal, C. Heil, X.-J. Chen, V. V. Struzhkin, and E. R. Margine | **Unusual Pressure-Induced Periodic Lattice Distortion in SnSe2** | `Phys. Rev. Lett. 121, 027003 (2018) `_ 150. | F. Tian, B. Song, X. Chen, N. K. Ravichandran, Y. Lv, K. Chen, S. Sullivan, J. Kim, Y. Zhou, T.-H. Liu, M. Goni, Z. Ding, J. Sun, G. A. G. U. Gamage, H. Sun, H. Ziyaee, S. Huyan, L. Deng, J. Zhou, A. J. Schmidt, S. Chen, C.-W. Chu, P. Y. Huang, D. Broido, L. Shi, G. Chen, and Z. Ren | **Unusual high thermal conductivity in boron arsenide bulk crystals**, | `Science 361, 582 (2018) `_ 149. | J. Zhang, J. Zhang, L. Zhou, C. Cheng, C. Lian, J. Liu, S. Tretiak, J. Lischner, F. Giustino, and S. Meng | **Universal Scaling of Intrinsic Resistivity in Two‐Dimensional Metallic Borophene** | `Angew. Chem. Int. Ed. 57, 4585 (2018) `_ 148. | S. Poncé, E. R. Margine, and F. Giustino | **Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors** | `Phys. Rev. B 97, 121201(R) (2018) `_ 147. | W. Xia, J. Zhang, and G.-Q. Huang | **The superconducting properties of a Pb/MoTe2/Pb heterostructure: First-principles calculations within the anisotropic Migdal–Eliashberg theory** | `Chin. Phys. B 27, 126302 (2018) `_ 146. | G. Gaddemane, W. G. Vandenberghe, M. L. V. d. Put, S. Chen, S. Tiwari, E. Chen, and M. V. Fischetti | **Theoretical studies of electronic transport in monolayer and bilayer phosphorene: A critical overview** | `Phys. Rev. B 98, 115416 (2018) `_ 145. | D. A. Pshenay-Severin, Y. V. Ivanov, and A. T. Burkov | **The effect of energy-dependent electron scattering on thermoelectric transport in novel topological semimetal CoSi** | `J. Phys.: Condens. Matter 30, 475501 (2018) `_ 144. | M. Xu, J.-Y. Yang, and L. Liu | **Temperature-dependent dielectric functions of bcc transition metals Cr, Mo, and W from ultraviolet to infrared regions: A theoretical and experimental study** | `J. Appl. Phys. 123, 155102 (2018) `_ 143. | J. Chen, Y. Ge, W. Zhou, M. Peng, J. Pan, and F. Ouyang | **Superconductivity in Li-intercalated bilayer arsenene and hole-doped monolayer arsenene: a first-principles prediction** | `J. Phys.: Condens. Matter 30, 245701 (2018) `_ 142. | X. Kong, M. Gao, X.-W. Yan, Z.-Y. Lu, and T. Xiang | **Superconductivity in electron-doped arsenene** | `Chin. Phys. B 27, 046301 (2018) `_ 141. | J. I. Ranasinghe, E. Jossou, L. Malakkal, B. Szpunar, and J. A. Szpunar | **Study on radial temperature distribution of aluminum dispersed nuclear fuels: U3O8-Al, U3Si2-Al, and UN-Al** | `ASME J. Nucl. Rad. Sci. 4, 031020 (2018) `_ 140. | R. Chen, J.-C. Ren, K. Rubi, R. Mahendiran, and J.-S. Wang | **Strong electron–phonon interaction and colossal magnetoresistance in EuTiO3** | `Eur. Phys. J. B 91, 36 (2018) `_ 139. | Z. Xing, S. Saha, J. Paglione, and M. M. Qazilbash | **Strong electron-boson coupling in the iron-based superconductor BaFe1.9Pt0.1As2 revealed by infrared spectroscopy** | `Phys. Rev. B 98, 224505 (2018) `_ 138. | T.-H. Liu, B. Song, L. Meroueh, Z. Ding, Q. Song, J. Zhou, M. Li, and G. Chen | **Simultaneously high electron and hole mobilities in cubic boron-V compounds: BP, BAs, and BSb** | `Phys. Rev. B 98, 081203(R) (2018) `_ 137. | J.-J. Zhang, Y. Zhang, and S. Dong | **Protective layer enhanced the stability and superconductivity of tailored antimonene bilayer** | `Phys. Rev. Mater. 2, 126004 (2018) `_ 136. | A. Kazempour and T. Morshedloo | **Plasmon scattering in electron and hole doped diamond** | `Superlattice. Microst. 114, 386 (2018) `_ 135. | J.-C. Ren and J.-S. Wang | **Origin of unexpected large Seebeck effect in SrTiO3: nonperturbative polaron study from ab initio cumulant expansion** | `arXiv:1805.10722 (2018) `_ 134. | X. Wu, H. O. Jeschke, D. D. Sante, F. O. v. Rohr, R. J. Cava, and R. Thomale | **Origin of the pressure-dependent Tc valley in superconducting simple cubic phosphorus** | `Phys. Rev. Mater. 2, 034802 (2018) `_ 133. | W. Shi, G. Wu, X. Yong, T. Deng, J.-S. Wang, J.-C. Zheng, J. Xu, M. B. Sullivan, and S.-W. Yang | **Orbital-Engineering-Based Screening of π-Conjugated d8 Transition-Metal Coordination Polymers for High-Performance n-Type Thermoelectric Applications** | `ACS Appl. Mater. Interfaces 10, 35306 (2018) `_ 132. | X. Wang, V. Askarpour, J. Maassen, and M. Lundstrom | **On the calculation of Lorenz numbers for complex thermoelectric materials** | `J. Appl. Phys. 123, 055104 (2018) `_ 131. | J. Yuan, Y. Cai, L. Shen, Y. Xiao, J.-C. Ren, A. Wang, Y. P. Feng, and X. Yan | **One-dimensional thermoelectrics induced by Rashba spin-orbit coupling in two-dimensional BiSb monolayer** | `Nano Energy 52, 163 (2018) `_ 130. | D. Novko | **Nonadiabatic coupling effects in MgB2 reexamined** | `Phys. Rev. B 98, 041112(R) (2018) `_ 129. | Y. Zhao, S. Zeng, C. Lian, Z. Dai, S. Meng, and J. Ni | **Multigap anisotropic superconductivity in borophenes** | `Phys. Rev. B 98, 134514 (2018) `_ 128. | F. Macheda and N. Bonini | **Magnetotransport phenomena in p-doped diamond from first principles** | `Phys. Rev. B 98, 201201(R) (2018) `_ 127. | J. Zhou, H. Zhu, T.-H. Liu, Q. Song, R. He, J. Mao, Z. Liu, W. Ren, B. Liao, D. J. Singh, Z. Ren, and G. Chen | **Large thermoelectric power factor from crystal symmetry-protected non-bonding orbital in half-Heuslers** | `Nat. Commun. 9, 1721 (2018) `_ 126. | M. Aslam, C. K. Singh, S. Das, R. Kumar, S. Datta, S. Halder, S. Gayen, M. Kabir, and G. Sheet | **Large enhancement of superconductivity in Zr point contacts** | `J. Phys.: Condens. Matter 30, 255002 (2018) `_ 125. | J. Ma, Y. Chen, and W. Li | **Intrinsic phonon-limited charge carrier mobilities in thermoelectric SnSe** | `Phys. Rev. B 97, 205207 (2018) `_ 124. | Y. Zhao, Z. Dai, C. Zhang, C. Lian, S. Zeng, G. Li, S. Meng, and J. Ni | **Intrinsic electronic transport and thermoelectric power factor in n-type doped monolayer MoS2** | `New J. Phys. 20, 043009 (2018) `_ 123. | Y. Tatsumi and R. Saito | **Interplay of valley selection and helicity exchange of light in Raman scattering for graphene and MoS2** | `Phys. Rev. B 97, 115407 (2018) `_ 122. | J. Chen, A. J. Millis, and D. R. Reichman | **Intermolecular coupling and superconductivity in PbMo6S8 and other Chevrel phase compounds** | `Phys. Rev. Mater. 2, 114801 (2018) `_ 121. | K. Ghosh and U. Singisetti | **Impact ionization in β−Ga2O3** | `J. Appl. Phys. 124, 085707 (2018) `_ 120. | Z. Zhou, H. Liu, D. Fan, G. Cao, and C. Sheng | **High Thermoelectric Performance Originating from the Grooved Bands in the ZrSe3 Monolayer** | `ACS Appl. Mater. Interfaces 10, 37031 (2018) `_ 119. | S. Huang, H. J. Liu, D. D. Fan, P. H. Jiang, J. H. Liang, G. H. Cao, R. Z. Liang, and J. Shi | **First-principles study of the thermoelectric properties of the Zintl compound KSnSb** | `J. Phys. Chem. C 122, 4217 (2018) `_ 118. | T. Fan, C. Xie, S. Wang, A. R. Oganov, and L. Cheng | **First-principles study of thermoelectric properties of Mg2Si–Mg2Pb semiconductor materials** | `RSC Adv. 8, 17168 (2018) `_ 117. | Z. Liu, J. O. Morales-Ferreiro, and T. Luo | **First-principles study of thermoelectric properties of blue phosphorene** | `Appl. Phys. Lett. 113, 063903 (2018) `_ 116. | J. Ma, A. S. Nissimagoudar, and W. Li | **First-principles study of electron and hole mobilities of Si and GaAs** | `Phys. Rev. B 97, 045201 (2018) `_ 115. | L. Adamska, S. Sadasivam, J. J. Foley, P. Darancet, and S. Sharifzadeh | **First-Principles Investigation of Borophene as a Monolayer Transparent Conductor** | `J. Phys. Chem. C 122, 4037 (2018) `_ 114. | C. Li, N. K. Ravichandran, L. Lindsay, and D. Broido | **Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport** | `Phys. Rev. Lett. 121, 175901 (2018) `_ 113. | C. Wolf and T.-W. Lee | **Exciton and lattice dynamics in low-temperature processable CsPbBr3 thin-films** | `Mater. Today Energy 7, 199 (2018) `_ 112. | K. Chae, S.-H. Kang, S.-M. Choi, D. Y. Kim, and Y.-W. Son | **Enhanced Thermoelectric Properties in a New Silicon Crystal Si24 with Intrinsic Nanoscale Porous Structure** | `Nano Lett. 18, 4748 (2018) `_ 111. | F. Caruso, C. Verdi, S. Poncé, and F. Giustino | **Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2** | `Phys. Rev. B 97, 165113 (2018) `_ 110. | N. Tandon, L. R. Ram-Mohan, and J. D. Albrecht | **Electron–Phonon Scattering in AlAs and Its Response to Hydrostatic Pressure** | `J. Electron. Mater. 47, 7191 (2018) `_ 109. | N. B.-J. Kanga, S. Insad, and L. B. Drissi | **Electron-phonon investigation in stanene** | `Comp. Mater. Sci. 155, 63 (2018) `_ 108. | X. Zeng, S. Zhao, Z. Li, and J. Yang | **Electron-phonon interaction in a Ca2N monolayer: Intrinsic mobility of electrene** | `Phys. Rev. B 98, 155443 (2018) `_ 107. | S.-Y. Yue, L. Cheng, B. Liao, and M. Hu | **Electron–phonon interaction and superconductivity in the high-pressure c/16 phase of lithium from first principles** | `Phys. Chem. Chem. Phys. 20, 27125 (2018) `_ 106. | X. Fan, G. Zhao, and S. Wang | **Electron–phonon interaction and scattering in phosphorene** | `J. Phys. D: Appl. Phys. 51, 155301 (2018) `_ 105. | Q.-Z. Li, X.-W. Yan, M. Gao, and J. Wang | **Electron-phonon coupling and superconductivity in LiB1+xC1−x** | `Europhys. Lett. 122, 47001 (2018) `_ 104. | A. Vasylenko, S. Marks, J. M. Wynn, P. V. C. Medeiros, Q. M. Ramasse, A. J. Morris, J. Sloan, and D. Quigley | **Electronic Structure Control of Sub-nanometer 1D SnTe via Nanostructuring within Single-Walled Carbon Nanotubes** | `ACS Nano 12, 6023 (2018) `_ 103. | S. Huang, X. Liu, W. Zheng, J. Guo, R. Xiong, Z. Wang, and J. Shi | **Dramatically improving thermoelectric performance of topological half-Heusler compound LuPtSb via hydrostatic pressure** | `J. Mater. Chem. A 6, 20069 (2018) `_ 102. | J. Cao, J. D. Querales-Flores, A. R. Murphy, S. Fahy, and I. Savić | **Dominant electron-phonon scattering mechanisms in n-type PbTe from first principles** | `Phys. Rev. B 98, 205202 (2018) `_ 101. | H.-L. Liu, T. Yang, Y. Tatsumi, Y. Zhang, B. Dong, H. Guo, Z. Zhang, Y. Kumamoto, M.-Y. Li, L.-J. Li, R. Saito, and S. Kawata | **Deep-ultraviolet Raman scattering spectroscopy of monolayer WS2** | `Sci. Rep. 8, 11398 (2018) `_ 100. | J. M. Riley, F. Caruso, C. Verdi, L. B. Duffy, M. D. Watson, L. Bawden, K. Volckaert, G. v. d. Laan, T. Hesjedal, M. Hoesch, F. Giustino, and P. D. C. King | **Crossover from lattice to plasmonic polarons of a spin-polarised electron gas in ferromagnetic EuO** | `Nat. Commun. 9, 2305 (2018) `_ 99. | N.-E. Lee, J.-J. Zhou, L. A. Agapito, and M. Bernardi | **Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal** | `Phys. Rev. B 97, 115203 (2018) `_ 98. | M. Schlipf, S. Poncé, and F. Giustino | **Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite CH3NH3PbI3 from Multiphonon Fröhlich Coupling** | `Phys. Rev. Lett. 121, 086402 (2018) `_ 97. | K. Pal, J. He, and C. Wolverton | **Bonding Hierarchy Gives Rise to High Thermoelectric Performance in Layered Zintl Compound BaAu2P4** | `Chem. Mater. 30, 7760 (2018) `_ 96. | C. W. Myung, J. Yun, G. Lee, and K. S. Kim | **A new perspective on the role of A-site cations in perovskite solar cells** | `Adv. Energy Mater. 8, 1702898 (2018) `_ 95. | D. D. Fan, H. J. Liu, L. Cheng, J. H. Liang, and P. H. Jiang | **A first-principles study of the effects of electron–phonon coupling on the thermoelectric properties: a case study of the SiGe compound** | `J. Mater. Chem. A 6, 12125 (2018) `_ 94. | G. Samsonidze and B. Kozinsky | **Accelerated screening of thermoelectric materials by first‐principles computations of electron–phonon scattering** | `Adv. Energy Mater. 8, 1800246 (2018) `_ 93. | C. Heil, G. B. Bachelet, and L. Boeri | **Absence of superconductivity in iron polyhydrides at high pressures** | `Phys. Rev. B 97, 214510 (2018) `_ 92. | V. A. Jhalani, J.-J. Zhou, and M. Bernardi | **Ultrafast hot carrier dynamics in GaN and its impact on the efficiency droop** | `Nano Lett. 17, 5012 (2017) `_ 91. | N. T. Hung, A. R. T. Nugraha, and R. Saito | **Two-dimensional InSe as a potential thermoelectric material** | `Appl. Phys. Lett. 111, 092107 (2017) `_ 90. | P. H. Jiang, H. J. Liu, L. Cheng, D. D. Fan, J. Zhang, J. Wei, J. H. Liang, and J. Shi | **Thermoelectric properties of γ-graphyne from first-principles calculations** | `Carbon 113, 108 (2017) `_ 89. | L. Cheng, Q.-B. Yan, and M. Hu | **The role of phonon–phonon and electron–phonon scattering in thermal transport in PdCoO2** | `Phys. Chem. Chem. Phys. 19, 21714 (2017) `_ 88. | E. Witkoske, X. Wang, M. Lundstrom, V. Askarpour, and J. Maassen | **Thermoelectric band engineering: The role of carrier scattering** | `J. Appl. Phys. 122, 175102 (2017) `_ 87. | S. Sadasivam, M. K. Y. Chan, and P. Darancet | **Theory of Thermal Relaxation of Electrons in Semiconductors** | `Phys. Rev. Lett. 119, 136602 (2017) `_ 86. | N. H. Shimada, E. Minamitani, and S. Watanabe | **Theoretical prediction of phonon-mediated superconductivity with Tc≈25 K in Li-intercalated hexagonal boron nitride bilayer** | `Appl. Phys. Express 10, 093101 (2017) `_ 85. | D. N. Esfahani and R. Asgari | **Superconducting critical temperature of hole doped blue phosphorene** | `arXiv:1710.05554 (2017) `_ 84. | T. Wang, Z. Gui, A. Janotti, C. Ni, and P. Karandikar | **Strong effect of electron-phonon interaction on the lattice thermal conductivity in 3C-SiC** | `Phys. Rev. Mater. 1, 034601 (2017) `_ 83. | N. F. Hinsche, A. S. Ngankeu, K. Guilloy, S. K. Mahatha, A. Grubišić Čabo, M. Bianchi, M. Dendzik, C. E. Sanders, J. A. Miwa, H. Bana, E. Travaglia, P. Lacovig, L. Bignardi, R. Larciprete, A. Baraldi, S. Lizzit, K. S. Thygesen, and P. Hofmann | **Spin-dependent electron-phonon coupling in the valence band of single-layer WS2** | `Phys. Rev. B 96, 121402(R) (2017) `_ 82. | M. Xu, J.-Y. Yang, S. Zhang, and L. Liu | **Role of electron-phonon coupling in finite-temperature dielectric functions of Au, Ag, and Cu** | `Phys. Rev. B 96, 115154 (2017) `_ 81. | J.-H. Lee and Y.-W. Son | **Reentrant Quantum Spin Hall States in Charge Density Wave Phase of Doped Single-Layer Transition Metal Dichalcogenides** | `arXiv:1711.08073 (2017) `_ 80. | M. Gao, Q.-Z. Li, X.-W. Yan, and J. Wang | **Prediction of phonon-mediated superconductivity in borophene** | `Phys. Rev. B 95, 024505 (2017) `_ 79. | W. H. Han, S. Kim, I.-H. Lee, and K. J. Chang | **Prediction of green phosphorus with tunable direct band gap and high mobility** | `J. Phys. Chem. Lett. 8, 4627 (2017) `_ 78. | N. H. Protik, A. Katreb, L. Lindsay, J. Carrete, N. Mingo, and D. Broido | **Phonon thermal transport in 2H, 4H and 6H silicon carbide from first principles** | `Mater. Today Phys. 1, 31 (2017) `_ 77. | F. Rittweger, N. F. Hinsche, and I. Mertig | **Phonon limited electronic transport in Pb** | `J. Phys.: Condens. Matter 29, 355501 (2017) `_ 76. | C. Verdi, F. Caruso, and F. Giustino | **Origin of the crossover from polarons to Fermi liquids in transition metal oxides** | `Nat. Commun. 8, 15769 (2017) `_ 75. | C. Heil, S. Poncé, H. Lambert, M. Schlipf, E. R. Margine, and F. Giustino | **Origin of Superconductivity and Latent Charge Density Wave in NbS2** | `Phys. Rev. Lett. 119, 087003 (2017) `_ 74. | F. Caruso, M. Hoesch, P. Achatz, J. Serrano, M. Krisch, E. Bustarret, and F. Giustino | **Nonadiabatic Kohn anomaly in heavily boron-doped diamond** | `Phys. Rev. Lett. 119, 017001 (2017) `_ 73. | L. Waldecker, R. Bertoni, H. Hübener, T. Brumme, T. Vasileiadis, D. Zahn, A. Rubio, and R. Ernstorfer | **Momentum-resolved view of electron-phonon coupling in multilayer WSe2** | `Phys. Rev. Lett. 119, 036803 (2017) `_ 72. | N. N. Degtyarenko, E. A. Mazur, and K. S. Grishakov | **Metallic hydrogen with a strong electron-phonon interaction at a pressure of 300–500 GPa** | `Solid State Commun. 262, 33 (2017) `_ 71. | Y. Zhao, Z. Dai, C. Lian, S. Zeng, G. Li, J. Ni, and Sheng Meng | **Low lattice thermal conductivity and good thermoelectric performance of cinnabar** | `Phys. Rev. Mater. 1, 065401 (2017) `_ 70. | Y. Nakamura, T. Zhao, J. Xi, W. Shi, D. Wang, and Z. Shuai | **Intrinsic charge transport in stanene: roles of bucklings and electron-phonon couplings** | `Adv. Electron. Mater. 3, 1700143 (2017) `_ 69. | C. E. Mahr, M. Czerner, and C. Heiliger | **Implementation of a method for calculating temperature-dependent resistivities in the KKR formalism** | `Phys. Rev. B 96, 165121 (2017) `_ 68. | T. Zhao, Y. Sun, Z. Shuai, and D. Wang | **GeAs2: A IV–V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency** | `Chem. Mater. 29, 6261 (2017) `_ 67. | J. Liang, D. Fan, P. Jiang, H. Liu, and W. Zhao | **First-principles study of the thermoelectric properties of intermetallic compound YbAl3** | `Intermetallics 87, 27 (2017) `_ 66. | T.-H. Liu, J. Zhou, B. Liao, D. J. Singh, and G. Chen | **First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs** | `Phys. Rev. B 95, 075206 (2017) `_ 65. | B. Fu, G. Tang, and Y. Li | **Electron-phonon scattering effect on the lattice thermal conductivity of silicon nanostructures** | `Phys. Chem. Chem. Phys. 19, 28517 (2017) `_ 64. | J.-J. Zheng and E. R. Margine | **Electron-phonon coupling and pairing mechanism in β−Bi2Pd centrosymmetric superconductor** | `Phys. Rev. B 95, 014512 (2017) `_ 63. | K. Ghosh and U. Singisetti | **Electron mobility in monoclinic β-Ga2O3—Effect of plasmon-phonon coupling, anisotropy, and confinement** | `J. Mater. Res. 32, 4142 (2017) `_ 62. | Y. Ma, D. Duan, Z. Shao, H. Yu, H. Liu, F. Tian, X. Huang, D. Li, B. Liu, and T. Cui | **Divergent synthesis routes and superconductivity of ternary hydride MgSiH6 at high pressure** | `Phys. Rev. B 96, 144518 (2017) `_ 61. | L. Chen, Z. Yan, and S. Kumar | **Coupled electron-phonon transport and heat transfer pathways in graphene nanostructures** | `Carbon 123, 525 (2017) `_ 60. | K. Ghosh and U. Singisetti | **Ab initio velocity-field curves in monoclinic β-Ga2O3** | `J. Appl. Phys. 122, 035702 (2017) `_ 59. | Q. Song, T.-H. Liu, J. Zhou, Z. Ding, and G. Chen | **Ab initio study of electron mean free paths and thermoelectric properties of lead telluride** | `Mater. Today Phys. 2, 69 (2017) `_ 58. | S. Reichardt and L. Wirtz | **Ab initio calculation of the G peak intensity of graphene: Laser-energy and Fermi-energy dependence and importance of quantum interference effects** | `Phys. Rev. B 95, 195422 (2017) `_ 57. | M. Fiorentini and N. Bonini | **Thermoelectric coefficients of n-doped silicon from first principles via the solution of the Boltzmann transport equation** | `Phys. Rev. B 94, 085204 (2016) `_ 56. | F. Caruso and F. Giustino | **Theory of electron-plasmon coupling in semiconductors** | `Phys. Rev. B 94, 115208 (2016) `_ 55. | A. K. Vallabhaneni, D. Singh, H. Bao, J. Murthy, and X. Ruan | **Reliability of Raman measurements of thermal conductivity of single-layer graphene due to selective electron-phonon coupling: A first-principles study** | `Phys. Rev. B 93, 125432 (2016) `_ 54. | A. Kazempour and T. Morshedloo | **Pressure dependency of electron-phonon renormalization in diamond** | `Diam. Rel. Mater. 70, 132 (2016) `_ 53. | J.-J. Zhang and S. Dong | **Prediction of above 20 K superconductivity of blue phosphorus bilayer with metal intercalations** | `2D Mater. 3, 035006 (2016) `_ 52. | J.-Y. Yang, G. Qin, and M. Hu | **Nontrivial contribution of Fröhlich electron-phonon interaction to lattice thermal conductivity of wurtzite GaN** | `Appl. Phys. Lett. 109, 242103 (2016) `_ 51. | Y. Kamakura, R. Fujita, K. Konaga, Y. Ueoka, N. Mori, and T. Kotani | **Full band Monte Carlo simulation of impact ionization in wide bandgap semiconductors based on ab initio calculation** | `2016 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), Nuremberg, 2016, pp. 47-51. `_ 50. | J.-J. Zheng and E. R. Margine | **First-principles calculations of the superconducting properties in Li-decorated monolayer graphene within the anisotropic Migdal-Eliashberg formalism** | `Phys. Rev. B 94, 064509 (2016) `_ 49. | S. Poncé, E. R. Margine, C. Verdi, and F. Giustino | **EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions** | `Comput. Phys. Commun. 209, 116 (2016) `_ 48. | E. R. Margine, H. Lambert, and F. Giustino | **Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene** | `Sci. Rep. 6, 21414 (2016) `_ 47. | A. D. Wright, C. Verdi, R. L. Milot, G. E. Eperon, M. A. Perez-Osorio, H. J. Snaith, F. Giustino, M. B. Johnston, and L. M. Herz | **Electron–phonon coupling in hybrid lead halide perovskites** | `Nat. Commun. 7, 11755 (2016) `_ 46. | H. Oh, S. Coh, and M. L. Cohen | **Comparative study of high-Tc superconductivity in H3S and H3P** | `arXiv:1606.09477 (2016) `_ 45. | J.-J. Zhou and M. Bernardi | **Ab initio electron mobility and polar phonon scattering in GaAs** | `Phys. Rev. B 94, 201201(R) (2016) `_ 44. | J. I. Mustafa, M. Bernardi, J. B. Neaton, and S. G. Louie | **Ab initio electronic relaxation times and transport in noble metals** | `Phys. Rev. B 94, 155105 (2016) `_ 43. | K. Ghosh and U. SIngisetti | **Ab initio calculation of electron–phonon coupling in monoclinic β-Ga2O3 crystal** | `Appl. Phys. Lett. 109, 072102 (2016) `_ 42. | Y. Kamakura, T. Kotani, K. Konaga, N. Minamitani, G. Wakimura and N. Mori | **Ab initio study of avalanche breakdown in diamond for power device applications** | `2015 IEEE International Electron Devices Meeting (IEDM), 5.2.1 (2015) `_ 41. | Y. Jiang, J. Xi, and Z.Shuai | **Mechanism of charge transport in organic semiconductors and carbon nanomaterials** | `MRS Proceedings 1733, mrsf14-1733-q02-06 (2015) `_ 40. | B. Liao, J. Zhou, B. Qiu, M. S. Dresselhaus, and G. Chen | **Ab initio study of electron-phonon interaction in phosphorene** | `Phys. Rev. B 91, 235419 (2015) `_ 39. | N. Tandon, J. D. Albrecht, and L. R. Ram-Mohan | **Electron-phonon interaction and scattering in Si and Ge: Implications for phonon engineering** | `J. Appl. Phys. 118, 045713 (2015) `_ 38. | A. Kazempour | **Polaronic correlation offsets in tetrahedral semiconductors** | `Diam. Rel. Mater. 60, 9 (2015) `_ 37. | B. Qiu, Z. Tian, A. Vallabhaneni, B. Liao, J. M. Mendoza, O. D. Restrepo, X. Ruan, and G. Chen | **First-principles simulation of electron mean-free-path spectra and thermoelectric properties in silicon** | `Eur. Phys. Lett. 109, 57006 (2015) `_ 36. | C. Verdi and F. Giustino | **Fröhlich Electron-Phonon Vertex from First Principles** | `Phys. Rev. Lett. 115, 176401 (2015) `_ 35. | M. Bernardi, J. Mustafa, J. B. Neaton, and S. G. Louie | **Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals** | `Nat. Commun. 6, 7044 (2015) `_ 34. | J. Zhou, B. Liao, B. Qiu, S. Hubermana, K. Esfarjanib, M. S. Dresselhausd, and G. Chen | **Ab initio optimization of phonon drag effect for lower-temperature thermoelectric energy conversion** | `Proc. Natl. Acad. Sci. U.S.A. 112, 14777 (2015) `_ 33. | B. Liao, B. Qiu, J. Zhou, S. Huberman, K. Esfarjani, and G. Chen | **Significant Reduction of Lattice Thermal Conductivity by the Electron-Phonon Interaction in Silicon with High Carrier Concentrations: A First-Principles Study** | `Phys. Rev. Lett. 114, 115901 (2015) `_ 32. | M. Gao, Z.-Y. Lu, and T. Xiang | **Prediction of phonon-mediated high-temperature superconductivity in Li3B4C2** | `Phys. Rev. B 91, 045132 (2015) `_ 31. | X.-L. Zhang and W.-M. Liu | **Electron-Phonon Coupling and its implication for the superconducting topological insulators** | `Sci. Rep. 5, 8964 (2015) `_ 30. | M. Bernardi, D. Vigil-Fowler, C. S. Ong, J. B. Neaton, and S. G. Louie | **Ab initio study of hot electrons in GaAs** | `Proc. Natl. Acad. Sci. U.S.A. 112, 5291 (2015) `_ 29. | N Tandon, J. D. Albrecht, and L. R. Ram-Mohan | **Electron-phonon coupling and associated scattering rates in diamond** | `Diam. Relat. Mater. 56, 1, (2015) `_ 28. | J. Xi, D. Wang, Y. Yi, and Z. Shuai | **Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach** | `J. Chem. Phys. 141, 034704 (2014) `_ 27. | E. R. Margine and F. Giustino | **Two-gap superconductivity in heavily n-doped graphene: Ab initio Migdal-Eliashberg theory** | `Phys. Rev. B 90, 014518 (2014) `_ 26. | M. Bernardi, D. Vigil-Fowler, J. Lischner, J. B. Neaton, and S. G. Louie | **Ab Initio study of hot carriers in the first picosecond after sunlight absorption in silicon** | `Phys. Rev. Lett. 112, 257402 (2014) `_ 25. | C.-H. Park, N. Bonini, T. Sohier, G. Samsonidze, B. Kozinsky, M. Calandra, F. Mauri, and N. Marzari | **Electron-phonon Interactions and the intrinsic electrical resistivity of graphene** | `Nano Lett. 14, 1113 (2014) `_ 24. | T. Bazhirov, Y. Sakai, S. Saito, and M. L. Cohen | **Electron-phonon coupling and superconductivity in Li-intercalated layered borocarbide compounds** | `Phys. Rev. B 89, 045136 (2014) `_ 23. | E. R. Margine and F. Giustino | **Anisotropic Migdal-Eliashberg theory using Wannier functions** | `Phys. Rev. B 87, 024505 (2013) `_ 22. | K. T. Chan, B. D. Malone, and M. L. Cohen | **Pressure dependence of superconductivity in simple cubic phosphorus** | `Phys. Rev. B 88, 064517 (2013) `_ 21. | T. Bazhirov, S. Coh, S. G. Louie, and M. L. Cohen | **Importance of oxygen octahedra tilts for the electron-phonon coupling in K-doped BaBiO3** | `Phys. Rev. B 88, 224509 (2013) `_ 20. | J. Noffsinger, E. Kioupakis, C. G. Van de Walle, S. G. Louie, and M. L. Cohen | **Phonon-assisted optical absorption in silicon from first principles** | `Phys. Rev. Lett. 108, 167402 (2012) `_ 19. | K. T. Chan, B. D. Malone, and M. L. Cohen | **Electron-phonon coupling and superconductivity in arsenic under pressure** | `Phys. Rev. B 86, 094515 (2012) `_ 18. | C.-H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie | **Inelastic carrier lifetime in bilayer graphene** | `Appl. Phys. Lett. 100, 032106 (2012) `_ 17. | N. Vukmirović, C. Bruder, and V. M. Stojanović | **Electron-phonon coupling in crystalline organic semiconductors: microscopic evidence for nonpolaronic charge carriers** | `Phys. Rev. Lett. 109, 126407 (2012) `_ 16. | P. H. Tan, W. P. Han, W. J. Zhao, Z. H. Wu, K. Chang, H. Wang, Y. F. Wang, N. Bonini, N. Marzari, N. Pugno, G. Savini, A. Lombardo, and A. C. Ferrari | **The shear mode of multilayer graphene** | `Nature Mater. 11, 294 (2012) `_ 15. | T. Bazhirov, J. Noffsinger, and Marvin L. Cohen | **Electron-phonon coupling in bcc lithium** | `Phys. Rev. B 84, 125122 (2011) `_ 14. | J. Noffsinger and M. L. Cohen | **Superconductivity in monolayer Pb on Si(111) from first principles** | `Solid State Commun. 151, 421 (2011) `_ 13. | F. Giustino, S. G. Louie, and M. L. Cohen | **Electron-phonon renormalization of the direct band gap of diamond** | `Phys. Rev. Lett. 105, 265501 (2010) `_ 12. | T. Bazhirov, J. Noffsinger and M. L. Cohen | **Superconductivity and electron-phonon coupling in lithium and high pressures** | `Phys. Rev. B 82, 184509 (2010) `_ 11. | J. Noffsinger and M. L. Cohen | **First-principles calculation of the electron-phonon coupling in ultrathin Pb superconductors: Suppression of the transition temperature by surface phonons** | `Phys. Rev. B 81, 214519 (2010) `_ 10. | 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** | `Comput. Phys. Comm. 181, 2140 (2010) `_ 9. | C.-H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie | **Angle-resolved photoemission spectra of graphene from first-principles calculations** | `Nano Lett. 9, 4234 (2009) `_ 8. | J. Noffsinger, F. Giustino, S. G. Louie, and M. L. Cohen | **Origin of superconductivity in boron-doped silicon carbide from first principles** | `Phys. Rev. B 79, 104511 (2009) `_ 7. | C.-H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie | **First-principles study of electron linewidths in graphene** | `Phys. Rev. Lett. 102, 076803 (2009) `_ 6. | C.-H. Park, F. Giustino, M. L. Cohen, and S. G. Louie | **Electron-phonon interactions in graphene, bilayer graphene, and graphite** | `Nano Lett. 8, 4229 (2008) `_ 5. | J. Noffsinger, F. Giustino, S. G. Louie, and M. L. Cohen | **First-principles study of superconductivity and Fermi-surface nesting in ultrahard transition metal carbides** | `Phys. Rev. B 77, 180507(R) (2008) `_ 4. | F. Giustino, M. L. Cohen, and S. G. Louie | **Small phonon contribution to the photoemission kink in the copper oxide superconductors** | `Nature 452, 975 (2008) `_ 3. | C.-H. Park, F. Giustino, J. L. McChesney, A. Bostwick, T. Ohta, E. Rotenberg, M. L. Cohen, and S. G. Louie | **Van Hove singularity and apparent anisotropy in the electron-phonon interaction in graphene** | `Phys. Rev. B 77, 113410 (2008) `_ 2. | C.-H. Park, F. Giustino, M. L. Cohen, and S. G. Louie | **Velocity renormalization and carrier lifetime in graphene from the electron-phonon interaction** | `Phys. Rev. Lett. 99, 086804 (2007) `_ 1. | F. Giustino, J. R. Yates, I. Souza, M. L. Cohen, and S. G. Louie | **Electron-phonon interaction via electronic and lattice Wannier functions: superconductivity in boron-doped diamond reexamined** | `Phys. Rev. Lett. 98, 047005 (2007) `_ ===== =====