Papers using EPW¶
EPW was used to calculate electronphonon properties in the following papers:
J. Chen and J. Gao
Strong electronphonon coupling in 3D tungsten nitride and coexistence of intrinsic superconductivity and topological nodal line in its 2D limit


J. Cui, S. Li, C. Xia, Y. Chen, and J. He
Pressure effects on the electrical transport and anharmonic lattice dynamics of rGeTe: A firstprinciples study


W. Zhang, T. Fei, T. Cheng, C. Zheng, Y. Dong, J.Y. Yang, and L. Liu
Doping and temperaturedependent UVVis optical constants of cubic SrTiO3: a combined spectroscopic ellipsometry and firstprinciples study


I. Serifi, N. B. J. Kanga, L. B. Drissi, and E. H. Saidi
Electronphonon contribution in aluminene: Superconductive and transport properties


J. Leveillee, G. Volonakis, and F. Giustino
PhononLimited Mobility and Electron–Phonon Coupling in LeadFree Halide Double Perovskites


D. Novko, V. Despoja, M. Reutzel, A. Li, H. Petek, and B. Gumhalter
Plasmonically assisted channels of photoemission from metals


Z. Torbatian, D. Novko, and R. Asgari
Hyperbolic plasmon modes in tilted Dirac cone phases of borophene


F. Caruso, P. Amsalem, J. Ma, A. Aljarb, T. Schultz, M. Zacharias, V. Tung, N. Koch, and C. Draxl
Twodimensional plasmonic polarons in ndoped monolayer MoS2


R.Y. Zhao, X.W. Yan, and M. Gao
An inverted Vshaped evolution of superconducting temperature in SrBC under pressure


Z. Dai, A. M. Schankler, L. Gao, L. Z. Tan, and A. M. Rappe
PhononAssisted Ballistic Current from FirstPrinciples Calculations


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


Z. Li, P. Graziosi, and N. Neophytou
Deformation potential extraction and mobility calculations in Silicon from first principles


J.N. Wang, X.W. Yan, and M. Gao
Hightemperature superconductivity in SrB3C3 and BaB3C3 predicted from firstprinciples anisotropic MigdalEliashberg theory


M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer
Multiphonon diffuse scattering in solids from firstprinciples: Application to 2D MoS2, bulk MoS2, and black Phosphorous


T. A. Huang, M. Zacharias, D. K. Lewis, F. Giustino, and S. Sharifzadeh
Exciton–Phonon Interactions in Monolayer Germanium Selenide from First Principles


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 LeadHalide Perovskite Semiconductors


M. Petrov, J. Bekaert, and M. V. Milosevic
Superconductivity and topological behavior in gallenene


M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer
Firstprinciples calculation of the allphonon inelastic scattering in solids


A. Kundu, X. Yang, J. Ma, T. Feng, J. Carrete, X. Ruan, G. K. H. Madsen, and W. Li
Ultrahigh Thermal Conductivity of θPhase Tantalum Nitride


B.H. Lei and D. J. Singh
Multigap electronphonon superconductivity in the quasionedimensional pnictide K2Mo3As3


S. Giaremis, P. Komninou, T. Karakostas, and J. Kioseoglou
Ab Initio Study of the Electron–Phonon Coupling in Ultrathin Al Layers


J.Y. You, B. Gu, G. Su, and Y. P. Feng
Twodimensional topological superconductivity candidate in a van der Waals layered material


A. P. Roy, N. Bajaj, R. Mittal, P. D. Babu, and D. Bansal
QuasiOneDimensional Fermi Surface Nesting and Hidden Nesting Enable Multiple Kohn Anomalies in αUranium


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 singlelayer black phosphorus


M. Zhu, H. Yao, L. Jiang, and Y. Zheng
Large Intrinsic Resistivity of Monolayer Cu2Si and Fermi Surface Nesting


C. Zhang, L. Cheng, and Y. Liu
Role of flexural phonons in carrier mobility of twodimensional semiconductors: free standing vs on substrate


B. Zhang, F. Guo, M. Zhu, L. Feng, and Y. Zheng
The sensitive tunability of superconducting critical temperature in highbuckled plumbene by shifting Fermi level


J. Chen and Y. Ge
Emergence of intrinsic superconductivity in monolayer W2N3


Z. Li, M. Wu, Y.H. Chan, and S. G. Louie
Unmasking the Origin of Kinks in the Photoemission Spectra of Cuprate Superconductors


S. Li, X. Zhang, and H. Bao
Thermal transport by electrons and phonons in PdTe2: an ab initio study


L. V. Begunovich, A. V. Kuklin, G. V. Baryshnikov, R. R. Valiev, and Hans Ågren
Singlelayer polymeric tetraoxa[8]circulene modified by sblock metals: toward stable spin qubits and novel superconductors


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 bandconvergence strategy and strong intervalley scatterings


J. Ma, R. Yang, and H. Chen
A large modulation of electronphonon coupling and an emergent superconducting dome in doped strong ferroelectrics


N. Gupta and R. Verma
Firstprinciples study of thermoelectric transport properties in lowbuckled monolayer silicene


Z. Liu and T. Luo
Thermal transport in superconducting niobium nitride: A firstprinciples study


S. S. Shastri and S. K. Pandey
Studying the lifetime of charge and heat carriers due to intrinsic scattering mechanisms in FeVSb halfHeusler thermoelectric


J. Cao, Y. Wu, H. Zhang, D. Logoteta, S. Zhang, and M. Pala
Dissipative Transport and Phonon Scattering Suppression via Valley Engineering in SingleLayer Antimonene and Arsenene FieldEffect Transistors


A. Sharma and U. Singisetti
Low field electron transport in α−Ga2O3: An ab initio approach


C. Wang, S. Liu, H. Jeon, S. Yi, Y. Bang, and J.H. Cho
HoleDoping Effect on Superconductivity in Compressed CeH9 at High Pressure


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


I. Prigozhin, S. Dominici, and E. Bellotti
FBMC3DA LargeScale 3D Monte Carlo Simulation Tool for Modern Electronic Devices


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 singlelayer triclinic ReSe2


J. Ding, C. Liu, L. Xi, J. Xi, and J. Yang
Thermoelectric transport properties in chalcogenides ZnX (X=S, Se): from the role of electronphonon couplings


Z. Jing, J. Liu, N. Li, H. Wang, K. Wu, Y. Cheng, and B. Xiao
ElectronPhonon Scattering Limited Intrinsic Electrical Conductivity of MXenes X2C (X= Ti or Mo)


C.S. Lian, C. Si, and W. Duan
Anisotropic FullGap Superconductivity in 2MWS2 Topological Metal with Intrinsic Proximity Effect


X. Duan, J.C. Ren, X. Zhang, S. Li, and W. Liu
RoomTemperature Thermoelectric Conversion by DipoleEnhanced Rashba SpinOrbit Coupling


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


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
Electronplasmon interaction induced plasmonicpolaron band replication in epitaxial perovskite SrIrO3 films


Y. Hu, S. Li, and H. Bao
Firstprinciples based analysis of thermal transport in metallic nanostructures: Size effect and WiedemannFranz law


D. Campi, S. Kumari, and N. Marzari
Prediction of PhononMediated Superconductivity with High Critical Temperature in the TwoDimensional Topological Semimetal W2N3


J.Y. You, B. Gu, G. Su, and Y. P. Feng
Twodimensional topological superconductivity candidate in a van der Waals layered material


T. Deng, G. Wu, W. Shi, Z. M. Wong, J.S. Wang, and S.W. Yang
Ab initio dipolar electronphonon interactions in twodimensional materials


Y. Gu, X. Wu, K. Jiang, and J. Hu
BaCuS2: A Superconductor with Moderate ElectronElectron Correlation


A. M. Ganose, J. Park, A. Faghaninia, R. WoodsRobinson, K. A. Persson, and A. Jain
Efficient calculation of carrier scattering rates from first principles


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
Strainstabilized superconductivity


J.J. Zhou, J. Park, IT. Lu, I. Maliyov, X. Tong, and M. Bernardi
Perturbo: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics


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 PhononElectron Scattering in Weyl Semimetal WP2


M. Alidoosti, D. N. Esfahani, and R. Asgari
Charge density wave and superconducting phase in monolayer InSe


D. Yadav, F. Pauly, and M. Trushin
Chargecarrier thermalization in bulk and monolayer CdTe from first principles


S. Yue, B. Deng, Y. Liu, Y. Quan, R. Yang, and B. Liao
Phonon softening near topological phase transitions


J.F. Zhang, M. Gao, K. Liu, and Z.Y. Lu
Firstprinciples study of the robust superconducting state of NbTi alloys under ultrahigh pressures


M. E. Mliles, Y. E. Kouari, and A. Hajjaji
Ab initio study of electron and phonon coupling in silicon


E. Emmanouilidou, S. Mardanya, J. Xing, P. V. S. Reddy, A. Agarwal, T.R. Chang, and N. Ni
Fermiology and typeI superconductivity in the chiral superconductor NbGe2 with KramersWeyl fermions


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
Spinorbit coupling effect on electronic, optical, and thermoelectric properties of Janus Ga2SSe


N. H. Protik and B. Kozinsky
Electronphonon drag enhancement of transport properties from a fully coupled ab initio Boltzmann formalism


M. Ghim, N. Sato, R. Akashi, S.H. Jhi, and S. Tsuneyuki
Coexistence of spontaneous polarization and superconductivity in holedoped oxyhydrides ATiO_2H (A=K, Rb, Cs): firstprinciples study


F. Macheda, S. Poncé, F. Giustino, and N. Bonini
Theory and Computation of Hall Scattering Factor in Graphene


X. Yang, A. Jena, F. Meng, S. Wen, J. Ma, X. Li, and W. Li
Indirect electronphonon interaction leading to significant reduction of thermal conductivity in graphene


Q. Huang, J. Ma, D. Xu, R. Hu, and X. Luo
High thermoelectric figure of merit in monolayer Tl2O from first principles


S. Gopalan, G. Gaddemane, M. L. V. d. Put, and M. V. Fischetti
Theoretical study of electronic transport in monolayer SnSe


D. Logoteta, J. Cao, M. Pala, P. Dollfus, Y. Lee, and G. Iannaccone
Coldsource paradigm for steepslope transistors based on van der Waals heterojunctions


J. Wang, X. Sui, W. Duan, F. Liu, and B. Huang
Densityindependent plasmons for terahertzstable topological metamaterials


L. Cheng, C. Zhang, and Y. Liu
Why TwoDimensional Semiconductors Generally Have Low Electron Mobility


Z. M. Wong, T. Deng, W. Shi, G. Wu, and S.W. Yang
Strain Effects on the nType Thermoelectric Performance of the SmallMolecule Organic Semiconductor 25Difluoro7,7,8,8Tetracyanoquinodimethane


Y. Quan and W. E. Pickett
Li2xBC3 : Prediction of a second MgB2class hightemperature superconductor


B. Zhang, M. Zhu, Z. Liu, F. Guo, and Y. Zheng
Temperaturedependent electronphonon spectral function and the intrinsic resistivity of a metal: A case study of monolayer Ti2N


Y. Zhao, C. Lian, S. Zeng, Z. Dai, S. Meng, and J. Ni
Anomalous electronic and thermoelectric transport properties in cubic Rb3AuO antiperovskite


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


J. Ma, F. Meng, J. He, Y. Jia, and W. Li
StrainInduced Ultrahigh Electron Mobility and Thermoelectric Figure of Merit in Monolayer αTe


C. Xia, J. Cui, and Y. Chen
Modulation of Band Alignment and Electron–Phonon Scattering in Mg3Sb2 via Pressure


C. Zhang, L. Cheng, and Y. Liu
Understanding highfield electron transport properties and strain effects of monolayer transition metal dichalcogenides


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


Y. Ge, W. Wan, Y. Ren, F. Li, and Y. Liu
Phononlimited electronic transport of twodimensional ultrawide bandgap material hBeO


R. D’Souza, J. Cao, J. D. QueralesFlores, S. Fahy, and I. Savić
Electronphonon scattering and thermoelectric transport in ptype PbTe from first principles


C. Liu, M. Yao, J. Yang, J. Xi, and X. Ke
Strong electronphonon interaction induced significant reduction in lattice thermal conductivities for singlelayer MoS2 and PtSSe


M. M. Khatami, G. Gaddemane, M. L. V. d. Put, M. K. MoravvejFarshi, and W. G. Vandenberghe
Electronic transport properties of hydrogenated and fluorinated graphene: a computational study


Y. Su, S. Cao, L.B. Shi, and P. Qian
Phononlimited mobility for novel twodimensional semiconductors of BC3 and C3N: Firstprinciples calculation


S. Wen, J. Ma, A. Kundu, and W. Li
Large lattice thermal conductivity, interplay between phononphonon, phononelectron, and phononisotope scatterings, and electrical transport in molybdenum from first principles


J. Liu, Y. Zhao, Z. Dai, J. Ni, and S. Meng
Low thermal conductivity and good thermoelectric performance in mercury chalcogenides


Z. Cui, Y. Qian, W. Zhang, H. Weng, and Z. Fang
TypeII Dirac Semimetal State in a Superconductor Tantalum Carbide


J. Ma, F. Meng, D. Xu, R. Hu, and X. Luo
Electron mobility and mode analysis of scattering for βGa2sO3 from first principles


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


D. Novko, F. Caruso, C. Draxl, and E. Cappelluti
Ultrafast Hot Phonon Dynamics in MgB2 Driven by Anisotropic ElectronPhonon Coupling


A. Anikin, R. D. Schaller, G. P. Wiederrecht, E. R. Margine, I. I. Mazin, and G. Karapetrov
Ultrafast dynamics in the highsymmetry and in the charge density wave phase of 2H−NbSe2


X. Liu, Z. Ding, J. Liu, W. Hu, and J. Yang
Twodimensional Ca4N2 as a onedimensional electride [Ca4N2]2+·2e− with ultrahigh conductance


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 manybody calculations


J. D. QueralesFlores, P. AguadoPuente, Đ. Dangić, J. Cao, P. Chudzinski, T. N. Todorov, M. Grüning, S. Fahy, and I. Savić
Towards temperatureinduced topological phase transition in SnTe: A first principles study


J. Zhang and G. Q. Huang
The superconductivity and topological surface state of typeII Dirac semimetal NiTe2


D.S. Tang, G.Z. Qin, M. Hu, and B.Y. Cao
Thermal transport properties of GaN with biaxial strain and electronphonon coupling


X. Gu, S. Li, and H. Bao
Thermal conductivity of silicon at elevated temperature: Role of fourphonon scattering and electronic heat conduction


S. Li, Z. Tong, X. Zhang, and H. Bao
Thermal conductivity and Lorenz ratio of metals at intermediate temperatures with modelevel firstprinciples analysis


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: firstprinciples calculation


N. Mascello, N. A. Spaldin, A. Narayan, and Q. N. Meier
Theoretical investigation of twin boundaries in WO3: Structure, properties, and implications for superconductivity


S. Cao, M. Yang, Q. You, L.B. Shi, and P. Qian
Theoretical evaluation of intrinsic mobility for twodimensional semiconductor of BC2N: Firstprinciples calculation


Y. Luo, G. Zhao, and S. Wang
The electron–phonon scattering and carrier mobility in monolayer AsSb


H. Paudyal, S. Poncé, F. Giustino, and E. R. Margine
Superconducting properties of MoTe2 from ab initio anisotropic MigdalEliashberg theory


S. Poncé and F. Giustino
Structural, electronic, elastic, power, and transport properties of β−Ga2O3 from first principles


J.Y. Yang, W. Zhang, C. Xu, J. Liu, L. Liu, and M. Hu
Strong electronphonon coupling induced anomalous phonon transport in ultrahigh temperature ceramics ZrB2 and TiB2


M. Gao, X.W. Yan, Z.Y. Lu, and T. Xiang
Strongcoupling superconductivity in LiB2C2 trilayer films


X.Q. Lu, P.J. Guo, J.F. Zhang, K. Liu, and Z.Y. Lu
SrPd, a candidate material with extremely large magnetoresistance


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 pressureinduced new silicon boride phases


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 twodimensional semiconductor of BC6N: first principles calculations


F. Caruso, D. Novko, and C. Draxl
Photoemission signatures of nonequilibrium carrier dynamics from first principles


G. Brunin, H. P. C. Miranda, M. Giantomassi, M. Royo, M. Stengel, M. J. Verstraete, X. Gonze, G.M. Rignanese, and G. Hautier
Phononlimited electron mobility in Si, GaAs, and GaP with exact treatment of dynamical quadrupoles


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


C. Wang, S. Yi, and J.H. Cho
Multiband nature of roomtemperature superconductivity in LaH10 at high pressure


Y. Zhao, C. Lian, S. Zeng, Z. Dai, S. Meng, and J. Ni
MgB4 trilayer film: A fourgap superconductor


W. Li and F. Giustino
Manybody renormalization of the electron effective mass of InSe


Z. Torbatian, M. Alidoosti, D. Novko, and R. Asgari
Lowloss twodimensional plasmon modes in antimonene


Y. Ge, W. Wan, Y. Ren, and Y. Liu
Large thermoelectric power factor of highmobility transitionmetal dichalcogenides with 1T′′ phase


T. N. Yu, J. Yuan, Y. Luo, Y. Wu, and L. Shen
Large Intrinsic Spin Hall Effect in Weyl Semimetals LaAlX (X=Si, Ge)


M. Yang, S. Cao, Q. You, L.B. Shi, and P. Qian
Intrinsic carrier mobility of monolayer GeS and GeSe: Firstprinciples calculation


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)


G. Sharma and K. C. Bhamu
Impressive Electronic Transport in Be2C Monolayer Limited by Phonon


J. Park, Y. Xia, A. M. Ganose, A. Jain, and V. Ozoliņš
High Thermoelectric Performance and Defect Energetics of Multipocketed Full Heusler Compounds


J. Ma, A. S. Nissimagoudar, S. Wang, and W. Li
High Thermoelectric Figure of Merit of Full‐Heusler Ba2AuX (X = As, Sb, and Bi)


Z. M. Wong, T. Deng, W. Shi, G. Wu, T. L. Tan, and S. Yang
High Performance Photocatalytic and Thermoelectric TwoDimensional Asymmetrically Ordered Januslike MXene Alloy


K.C. Zhang, Y.F. Li, Y. Liu, and Y. Zhu
Firstprinciples study on the anisotropic transport of electrons and phonons in monolayer and bulk GaTe: A comparative study


W. Wang, Y. Kang, H. Peelaers, K. Krishnaswamy, and C. G. V. d. Walle
Firstprinciples study of transport in WO3


J.F. Zhang, P.J. Guo, M. Gao, K. Liu, and Z.Y. Lu
Firstprinciples study of electronphonon coupling and magnetoresistance of LaBi under pressure


B. Szpunar, J. I. Ranasinghe, L. Malakkal, and J. A. Szpunar
First principles investigation of thermal transport of uranium mononitride


X.T. Jin, X.W. Yan, and M. Gao
Firstprinciples calculations of monolayer hexagonal boron nitride: Possibility of superconductivity


J. Ma, D. Xu, R. Hu, and X. Luo
Examining twodimensional Fröhlich model and enhancing the electron mobility of monolayer InSe by dielectric engineering


R. Debnath, I. Maity, R. Biswas, V. Raghunathan, M. Jain, and A. Ghosh
Evolution of highfrequency Raman modes and their doping dependence in twisted bilayer MoS2


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 impuritylimited charge transport calculations


F. Zheng, X.B. Li, P. Tan, Y. Lin, L. Xiong, X. Chen, and J. Feng
Emergent superconductivity in twodimensional NiTe2 crystals


X. Bu and S. Wang
Electron–phonon scattering and mean free paths in Dcarbon


X. Bu and S. Wang
Electron–phonon scattering and excitonic effects in Tcarbon


A. N. Rudenko and S. Yuan
Electronphonon interaction and zerofield charge carrier transport in the nodalline semimetal ZrSiS


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


M. D. Santia, D. C. Look, and S. C. Badescu
Electron–phonon coupling and electron mobility in degenerately doped oxides from firstprinciples


G. Brunin, H. P. C. Miranda, M. Giantomassi, M. Royo, M. Stengel, M. J. Verstraete, X. Gonze, G.M. Rignanese, and G. Hautier
ElectronPhonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids


C. Xia, J. Cui, and Y. Chen
Effect of group3 elements doping on promotion of inplane Seebeck coefficient of ntype Mg3Sb2


Y. Ge, W. Wan, X. Guo, and Y. Liu
Direct and indirect optical absorptions of cubic BAs and BSb


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)


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 highlydoped Si


D. Novko
Broken adiabaticity induced by Lifshitz transition in MoS2 and WS2 single layers


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 electronphonon coupling


K. Bushick, S. Chae, Z. Deng, J. T. Heron, and E. Kioupakis
Boron arsenide heterostructures: latticematched heterointerfaces and strain effects on band alignments and mobility


A. S. Chaves, A. Antonelli, D. T. Larson, and E. Kaxiras
Boosting the efficiency of ab initio electronphonon coupling calculations through dual interpolation


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 πconjugation in twodimensional poly(tetrathienoanthracene)


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 halfvan der Waals metals enabled by confinement heteroepitaxy


S. Li, A. Wang, Y. Hu, X. Gu, Z. Tong, and H. Bao
Anomalous thermal transport in metallic transitionmetal nitrides originated from strong electronphonon interactions


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


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


F. Meng, S. Sun, J. Ma, C. Chronister, J. He, and W. Li
Anisotropic thermoelectric figureofmerit in Mg3Sb2


K. Yuan, Z. Sun, X. Zhang, X. Gong, and D. Tang
A firstprinciples study of the thermoelectric properties of rhombohedral GeSe


H. Seiler, D. Zahn, M. Zacharias, P. Hildebrandt, T. Vasileiadis, Y. W. Windsor, Y. Qi, C. Carbogno, C. Draxl, F. Caruso, and R. Ernstorfer
Accessing the anisotropic nonthermal phonon populations in black phosphorus


J. Berges, E. G. C. P. v. Loon, A. Schobert, M. Rösner, and T. O. Wehling
Ab initio phonon selfenergies and fluctuation diagnostics of phonon anomalies: Lattice instabilities from Dirac pseudospin physics in transition metal dichalcogenides


K. Bushick, K. A. Mengle, S. Chae, and E. Kioupakis
Electron and hole mobility of rutile GeO2 from first principles: An ultrawidebandgap semiconductor for power electronics


D. Yadav, M. Trushin, and F. Pauly
Thermalization of photoexcited carriers in twodimensional transition metal dichalcogenides and internal quantum efficiency of van der Waals heterostructures


Y. Ge and T. S. Fisher
Photoconductivity calculations of bilayer graphene from first principles and deformationpotential approach


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 Ladoped BaSnO3 thin films


V. Askarpour and J. Maassen
Unusual thermoelectric transport anisotropy in quasitwodimensional rhombohedral GeTe


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


Y. Chen, J. Ma, and W. Li
Understanding the thermal conductivity and Lorenz number in tungsten from first principles


S. M. O’Mahony, F. MurphyArmando, É. D. Murray, J. D. QueralesFlores, I. Savić, and S. Fahy
Ultrafast Relaxation of SymmetryBreaking PhotoInduced Atomic Forces


Y. Zhao, C. Lian, S. Zeng, Z. Dai, S. Meng, and J. Ni
Twogap and threegap superconductivity in AlB2based films


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


A. Jena and W. Li
Transport phenomena in a freestanding twodimensional sodium sheet


L. Aggarwal, C. Singh, M. Aslam, R. Singha, A. Pariari, S. Gayen, M. Kabir, P. Mandal, and G. Sheet
Tipinduced superconductivity coexisting with preserved topological properties in linenodal semimetal ZrSiS


E. A. Moujaes and W. A. Diery
Thermoelectric properties of 1 T monolayer pristine and Janus Pd dichalcogenides


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


F. Caruso, M. Troppenz, S. Rigamonti, and C. Draxl
Thermally enhanced Fröhlich coupling in SnSe


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


L. Cheng, C. Zhang, and Y. Liu
The Optimal Electronic Structure for HighMobility 2D Semiconductors: Exceptionally High Hole Mobility in 2D Antimony


S. Li, Z. Tong, and H. Bao
The lattice and electronic thermal conductivity of doped SnSe: a firstprinciples study


M. Xu, J. Yang, and L. Liu
Temperaturedependent optical and electrical properties of bulk Ti2AlC and twodimensional MXenes from firstprinciples


G. Q. Huang and W. Xia
Superconductivity in ultrathin Pb/MoTe2 heterostructure


C. Heil, S. d. Cataldo, G. B. Bachelet, and L. Boeri
Superconductivity in sodalitelike yttrium hydride clathrates


A. P. Durajski, K. M. Skoczylas, and R. Szczȩśniak
Superconductivity in bilayer graphene intercalated with alkali and alkaline earth metals


S. S. Ghosh, Y. Quan, and W. E. Pickett
Strong particlehole asymmetry in a 200 Kelvin superconductor


A. V. Lugovskoi, M. I. Katsnelson, and A. N. Rudenko
Strong ElectronPhonon Coupling and its Influence on the Transport and Optical Properties of HoleDoped SingleLayer InSe


C.S. Lian, C. Si, and W. Duan
Single anisotropic gap superconductivity and proximity effect in PbTaSe2


A. Jena and W. Li
Significant reduction of lattice thermal conductivity in suspended graphene by charge doping


S. Huang, Z. Wang, R. Xiong, H. Yu, and J. Shi
Significant enhancement in thermoelectric performance of Mg3Sb2 from bulk to twodimensional mono layer


S. Poncé, D. Jena, and F. Giustino
Route to High Hole Mobility in GaN via Reversal of CrystalField Splitting


S. Li, Z. Tong, and H. Bao
Resolving different scattering effects on the thermal and electrical transport in doped SnSe


Y. Sun, Z. Shuai, and D. Wang
Reducing Lattice Thermal Conductivity of the Thermoelectric SnSe Monolayer: Role of Phonon–Electron Coupling


C. Wang, S. Yi, and J.H. Cho
Pressure dependence of the superconducting transition temperature of compressed LaH10


W. H. Sio, C. Verdi, S. Poncé, and F. Giustino
Polarons from First Principles, without Supercells


D. Yadav, M. Trushin, and F. Pauly
Photocarrier thermalization bottleneck in graphene


F. Meng, J. Ma, J. He, and W. Li
Phononlimited carrier mobility and temperaturedependent scattering mechanism of 3CSiC from first principles


S. Poncé, M. Schlipf, and F. Giustino
Origin of Low Carrier Mobilities in Halide Perovskites


Y. Zhao, J.J. Zhang, S. Yuan, and Z. Chen
Nonvolatile Electrical Control and Heterointerface‐Induced Half‐Metallicity of 2D Ferromagnets


S. Gopalan, G. Gaddemane, M. L. V. d. Put, and M. V. Fischetti
Monte Carlo Study of Electronic Transport in Monolayer InSe


Y. Xia, J. Park, V. Ozoliņš, and C. Wolverton
Leveraging electronphonon interaction to enhance the thermoelectric power factor in graphenelike semimetals


S. P. Keshri and A. Medhi
Intrinsically high thermoelectric figure of merit of halfHeusler ZrRuTe


L. Cheng, C. Zhang, and Y. Liu
How to resolve a phononassociated property into contributions of basic phonon modes


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?


S. Poncé, D. Jena, and F. Giustino
Hole mobility of strained GaN from first principles


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


J. Park, Y. Xia, and V. Ozoliņš
High Thermoelectric Power Factor and Efficiency from a Highly Dispersive Band in Ba2BiAu


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


Z. Z. Zhou, D. D. Fan, H. J. Liu, and J. Liu
High figureofmerit in the heavyfermion UN2 system for radioisotope thermoelectric applications


A. Giri, J. T. Gaskins, L. Li, Y.S. Wang, O. V. Prezhdo, and P. E. Hopkins
Firstprinciples determination of the ultrahigh electrical and thermal conductivity in freeelectron metals via pressure tuning the electronphonon coupling factor


Z. Liu, M. Zhu, and Y. Zheng
Firstprinciples calculations on the intrinsic resistivity of borophene: anisotropy and temperature dependence


Z. Liu, M. Zhu, and Y. Zheng
Fermi surface nesting and intrinsic resistivity of beryllium: Firstprinciples calculations


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 2HTaS2


X. Zhang, M. Zhao, and F. Liu
Enhancing superconductivity in bulk β−Bi2Pd by negative pressure induced by quantum electronic stress


R. Guo, X. Bu, S. Wang, and G. Zhao
Enhanced electron–phonon scattering in Janus MoSSe


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 FirstPrinciples Calculations and BoltzmannEquation Monte Carlo Simulations


F. Guo, Z. Liu, M. Zhu, and Y. Zheng
Electron–phonon scattering limited hole mobility at room temperature in a MoS2 monolayer: firstprinciples calculations


A. V. Lugovskoi, M. I. Katsnelson, and A. N. Rudenko
Electronphonon properties, structural stability, and superconductivity of doped antimonene


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 singlelayer MoS2


C.C. Lei, M. Gao, and X.W. Yan
Electronphonon coupling in FeB4 reexamined by maximally localized Wannier functions


M. Gao, X.W. Yan, J. Wang, Z.Y. Lu, and T. Xiang
Electronphonon coupling in a honeycomb borophene grown on Al(111) surface


F. Zheng and J. Feng
Electronphonon coupling and the coexistence of superconductivity and chargedensity wave in monolayer NbSe2


M. M. Khatami, G. Gaddemane, M. L. V. d. Put, M. V. Fischetti, M. K. MoravvejFarshi, M. Pourfath, and W. G. Vandenberghe
Electronic Transport Properties of Silicane Determined from First Principles


T. A. Mellan, A. Aziz, Y. Xia, R. GrauCrespo, and A. I. Duff
Electron and phonon interactions and transport in the ultrahightemperature ceramic ZrC


F. Guo, Z. Liu, M. Zhu, and Y. Zheng
Effects of uniaxial tensile strain on the electron–phonon scattering limited carrier mobility in an ntype monolayer MoS2 at room temperature: firstprinciples calculations


N. Tandon, L. R. RamMohan, and J. D. Albrecht
Effect of hydrostatic pressure on the electronphonon scattering in GaAs


Z. D. Gerbi and P. Singh
Effect of hydrostatic pressure on superconductivity of MgB2


Q. Xu, J. Zhou, T.H. Liu, and G. Chen
Effect of electronphonon interaction on lattice thermal conductivity of SiGe alloys


E. Osei‐Agyemang, C. E. Adu, and G. Balasubramanian
Doping and Anisotropy–Dependent Electronic Transport in Chalcogenide Perovskite CaZrSe3 for High Thermoelectric Efficiency


W. Li, S. Poncé, and F. Giustino
Dimensional crossover in the carrier mobility of twodimensional semiconductors: The case of InSe


N. T. Hung, A. R. T. Nugraha, and R. Saito
Designing highperformance thermoelectrics in twodimensional tetradymites


Z. Zhou, H. Liu, D. Fan, and G. Cao
Designing graphene/hexagonal boron nitride superlattice monolayer with high thermoelectric performance


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


S.Y. Yue, R. Yang, and B. Liao
Controlling thermal conductivity of twodimensional materials via externally induced phononelectron interaction


V.A. Ha, G. Yu, F. Ricci, D. Dahliah, M. J. v. Setten, M. Giantomassi, G.M. Rignanese, and G. Hautier
Computationally driven highthroughput identification of CaTe and Li3Sb as promising candidates for highmobility ptype transparent conducting materials


Y. Quan, S. S. Ghosh, and W. E. Pickett
Compressed hydrides as metallic hydrogen superconductors


Z. Tong, S. Li, X. Ruan, and H. Bao
Comprehensive firstprinciples analysis of phonon thermal conductivity and electronphonon coupling in different metals


Y. Chen, J. Ma, S. Wen, and W. Li
Bodycenteredcubic structure and weak anharmonic phonon scattering in tungsten


J.F. Zhang, P.J. Guo, M. Gao, K. Liu, and Z.Y. Lu
β–RhPb2: A topological superconductor candidate


C. Kumarasinghe and N. Neophytou
Band alignment and scattering considerations for enhancing the thermoelectric power factor of complex materials: The case of Cobased halfHeusler alloys


J. Wang, X. Sui, S. Gao, W. Duan, F. Liu, and B. Huang
Anomalous Dirac Plasmons in 1D Topological Electrides


Y. Huang, J. Zhou, G. Wang, and Z. Sun
Abnormally Strong Electron–Phonon Scattering Induced Unprecedented Reduction in Lattice Thermal Conductivity of TwoDimensional Nb2C


W. H. Sio, C. Verdi, S. Poncé, and F. Giustino
Ab initio theory of polarons: Formalism and applications


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


L. Cheng and Y. Liu
What Limits the Intrinsic Mobility of Electrons and Holes in Two Dimensional Metal Dichalcogenides?


J. Ying, H. Paudyal, C. Heil, X.J. Chen, V. V. Struzhkin, and E. R. Margine
Unusual PressureInduced Periodic Lattice Distortion in SnSe2


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,


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


S. Poncé, E. R. Margine, and F. Giustino
Towards predictive manybody calculations of phononlimited carrier mobilities in semiconductors


W. Xia, J. Zhang, and G.Q. Huang
The superconducting properties of a Pb/MoTe2/Pb heterostructure: Firstprinciples calculations within the anisotropic Migdal–Eliashberg theory


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


D. A. PshenaySeverin, Y. V. Ivanov, and A. T. Burkov
The effect of energydependent electron scattering on thermoelectric transport in novel topological semimetal CoSi


M. Xu, J.Y. Yang, and L. Liu
Temperaturedependent dielectric functions of bcc transition metals Cr, Mo, and W from ultraviolet to infrared regions: A theoretical and experimental study


J. Chen, Y. Ge, W. Zhou, M. Peng, J. Pan, and F. Ouyang
Superconductivity in Liintercalated bilayer arsenene and holedoped monolayer arsenene: a firstprinciples prediction


X. Kong, M. Gao, X.W. Yan, Z.Y. Lu, and T. Xiang
Superconductivity in electrondoped arsenene


J. I. Ranasinghe, E. Jossou, L. Malakkal, B. Szpunar, and J. A. Szpunar
Study on radial temperature distribution of aluminum dispersed nuclear fuels: U3O8Al, U3Si2Al, and UNAl


R. Chen, J.C. Ren, K. Rubi, R. Mahendiran, and J.S. Wang
Strong electron–phonon interaction and colossal magnetoresistance in EuTiO3


Z. Xing, S. Saha, J. Paglione, and M. M. Qazilbash
Strong electronboson coupling in the ironbased superconductor BaFe1.9Pt0.1As2 revealed by infrared spectroscopy


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 boronV compounds: BP, BAs, and BSb


J.J. Zhang, Y. Zhang, and S. Dong
Protective layer enhanced the stability and superconductivity of tailored antimonene bilayer


A. Kazempour and T. Morshedloo
Plasmon scattering in electron and hole doped diamond


J.C. Ren and J.S. Wang
Origin of unexpected large Seebeck effect in SrTiO3: nonperturbative polaron study from ab initio cumulant expansion


X. Wu, H. O. Jeschke, D. D. Sante, F. O. v. Rohr, R. J. Cava, and R. Thomale
Origin of the pressuredependent Tc valley in superconducting simple cubic phosphorus


W. Shi, G. Wu, X. Yong, T. Deng, J.S. Wang, J.C. Zheng, J. Xu, M. B. Sullivan, and S.W. Yang
OrbitalEngineeringBased Screening of πConjugated d8 TransitionMetal Coordination Polymers for HighPerformance nType Thermoelectric Applications


X. Wang, V. Askarpour, J. Maassen, and M. Lundstrom
On the calculation of Lorenz numbers for complex thermoelectric materials


J. Yuan, Y. Cai, L. Shen, Y. Xiao, J.C. Ren, A. Wang, Y. P. Feng, and X. Yan
Onedimensional thermoelectrics induced by Rashba spinorbit coupling in twodimensional BiSb monolayer


Y. Zhao, S. Zeng, C. Lian, Z. Dai, S. Meng, and J. Ni
Multigap anisotropic superconductivity in borophenes


F. Macheda and N. Bonini
Magnetotransport phenomena in pdoped diamond from first principles


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 symmetryprotected nonbonding orbital in halfHeuslers


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. Ma, Y. Chen, and W. Li
Intrinsic phononlimited charge carrier mobilities in thermoelectric SnSe


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 ntype doped monolayer MoS2


Y. Tatsumi and R. Saito
Interplay of valley selection and helicity exchange of light in Raman scattering for graphene and MoS2


J. Chen, A. J. Millis, and D. R. Reichman
Intermolecular coupling and superconductivity in PbMo6S8 and other Chevrel phase compounds


Z. Zhou, H. Liu, D. Fan, G. Cao, and C. Sheng
High Thermoelectric Performance Originating from the Grooved Bands in the ZrSe3 Monolayer


S. Huang, H. J. Liu, D. D. Fan, P. H. Jiang, J. H. Liang, G. H. Cao, R. Z. Liang, and J. Shi
Firstprinciples study of the thermoelectric properties of the Zintl compound KSnSb


T. Fan, C. Xie, S. Wang, A. R. Oganov, and L. Cheng
Firstprinciples study of thermoelectric properties of Mg2Si–Mg2Pb semiconductor materials


Z. Liu, J. O. MoralesFerreiro, and T. Luo
Firstprinciples study of thermoelectric properties of blue phosphorene


J. Ma, A. S. Nissimagoudar, and W. Li
Firstprinciples study of electron and hole mobilities of Si and GaAs


L. Adamska, S. Sadasivam, J. J. Foley, P. Darancet, and S. Sharifzadeh
FirstPrinciples Investigation of Borophene as a Monolayer Transparent Conductor


C. Li, N. K. Ravichandran, L. Lindsay, and D. Broido
Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport


C. Wolf and T.W. Lee
Exciton and lattice dynamics in lowtemperature processable CsPbBr3 thinfilms


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


F. Caruso, C. Verdi, S. Poncé, and F. Giustino
Electronplasmon and electronphonon satellites in the angleresolved photoelectron spectra of ndoped anatase TiO2


N. Tandon, L. R. RamMohan, and J. D. Albrecht
Electron–Phonon Scattering in AlAs and Its Response to Hydrostatic Pressure


N. B.J. Kanga, S. Insad, and L. B. Drissi
Electronphonon investigation in stanene


X. Zeng, S. Zhao, Z. Li, and J. Yang
Electronphonon interaction in a Ca2N monolayer: Intrinsic mobility of electrene


S.Y. Yue, L. Cheng, B. Liao, and M. Hu
Electron–phonon interaction and superconductivity in the highpressure c/16 phase of lithium from first principles


X. Fan, G. Zhao, and S. Wang
Electron–phonon interaction and scattering in phosphorene


Q.Z. Li, X.W. Yan, M. Gao, and J. Wang
Electronphonon coupling and superconductivity in LiB1+xC1−x


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 Subnanometer 1D SnTe via Nanostructuring within SingleWalled Carbon Nanotubes


S. Huang, X. Liu, W. Zheng, J. Guo, R. Xiong, Z. Wang, and J. Shi
Dramatically improving thermoelectric performance of topological halfHeusler compound LuPtSb via hydrostatic pressure


J. Cao, J. D. QueralesFlores, A. R. Murphy, S. Fahy, and I. Savić
Dominant electronphonon scattering mechanisms in ntype PbTe from first principles


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
Deepultraviolet Raman scattering spectroscopy of monolayer WS2


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 spinpolarised electron gas in ferromagnetic EuO


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


M. Schlipf, S. Poncé, and F. Giustino
Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite CH3NH3PbI3 from Multiphonon Fröhlich Coupling


K. Pal, J. He, and C. Wolverton
Bonding Hierarchy Gives Rise to High Thermoelectric Performance in Layered Zintl Compound BaAu2P4


C. W. Myung, J. Yun, G. Lee, and K. S. Kim
A new perspective on the role of Asite cations in perovskite solar cells


D. D. Fan, H. J. Liu, L. Cheng, J. H. Liang, and P. H. Jiang
A firstprinciples study of the effects of electron–phonon coupling on the thermoelectric properties: a case study of the SiGe compound


G. Samsonidze and B. Kozinsky
Accelerated screening of thermoelectric materials by first‐principles computations of electron–phonon scattering


C. Heil, G. B. Bachelet, and L. Boeri
Absence of superconductivity in iron polyhydrides at high pressures


V. A. Jhalani, J.J. Zhou, and M. Bernardi
Ultrafast hot carrier dynamics in GaN and its impact on the efficiency droop


N. T. Hung, A. R. T. Nugraha, and R. Saito
Twodimensional InSe as a potential thermoelectric material


P. H. Jiang, H. J. Liu, L. Cheng, D. D. Fan, J. Zhang, J. Wei, J. H. Liang, and J. Shi
Thermoelectric properties of γgraphyne from firstprinciples calculations


L. Cheng, Q.B. Yan, and M. Hu
The role of phonon–phonon and electron–phonon scattering in thermal transport in PdCoO2


E. Witkoske, X. Wang, M. Lundstrom, V. Askarpour, and J. Maassen
Thermoelectric band engineering: The role of carrier scattering


S. Sadasivam, M. K. Y. Chan, and P. Darancet
Theory of Thermal Relaxation of Electrons in Semiconductors


N. H. Shimada, E. Minamitani, and S. Watanabe
Theoretical prediction of phononmediated superconductivity with Tc≈25 K in Liintercalated hexagonal boron nitride bilayer


D. N. Esfahani and R. Asgari
Superconducting critical temperature of hole doped blue phosphorene


T. Wang, Z. Gui, A. Janotti, C. Ni, and P. Karandikar
Strong effect of electronphonon interaction on the lattice thermal conductivity in 3CSiC


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
Spindependent electronphonon coupling in the valence band of singlelayer WS2


M. Xu, J.Y. Yang, S. Zhang, and L. Liu
Role of electronphonon coupling in finitetemperature dielectric functions of Au, Ag, and Cu


J.H. Lee and Y.W. Son
Reentrant Quantum Spin Hall States in Charge Density Wave Phase of Doped SingleLayer Transition Metal Dichalcogenides


M. Gao, Q.Z. Li, X.W. Yan, and J. Wang
Prediction of phononmediated superconductivity in borophene


W. H. Han, S. Kim, I.H. Lee, and K. J. Chang
Prediction of green phosphorus with tunable direct band gap and high mobility


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


F. Rittweger, N. F. Hinsche, and I. Mertig
Phonon limited electronic transport in Pb


C. Verdi, F. Caruso, and F. Giustino
Origin of the crossover from polarons to Fermi liquids in transition metal oxides


C. Heil, S. Poncé, H. Lambert, M. Schlipf, E. R. Margine, and F. Giustino
Origin of Superconductivity and Latent Charge Density Wave in NbS2


F. Caruso, M. Hoesch, P. Achatz, J. Serrano, M. Krisch, E. Bustarret, and F. Giustino
Nonadiabatic Kohn anomaly in heavily borondoped diamond


L. Waldecker, R. Bertoni, H. Hübener, T. Brumme, T. Vasileiadis, D. Zahn, A. Rubio, and R. Ernstorfer
Momentumresolved view of electronphonon coupling in multilayer WSe2


N. N. Degtyarenko, E. A. Mazur, and K. S. Grishakov
Metallic hydrogen with a strong electronphonon interaction at a pressure of 300–500 GPa


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


Y. Nakamura, T. Zhao, J. Xi, W. Shi, D. Wang, and Z. Shuai
Intrinsic charge transport in stanene: roles of bucklings and electronphonon couplings


C. E. Mahr, M. Czerner, and C. Heiliger
Implementation of a method for calculating temperaturedependent resistivities in the KKR formalism


T. Zhao, Y. Sun, Z. Shuai, and D. Wang
GeAs2: A IV–V Group TwoDimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency


J. Liang, D. Fan, P. Jiang, H. Liu, and W. Zhao
Firstprinciples study of the thermoelectric properties of intermetallic compound YbAl3


T.H. Liu, J. Zhou, B. Liao, D. J. Singh, and G. Chen
Firstprinciples modebymode analysis for electronphonon scattering channels and mean free path spectra in GaAs


B. Fu, G. Tang, and Y. Li
Electronphonon scattering effect on the lattice thermal conductivity of silicon nanostructures


J.J. Zheng and E. R. Margine
Electronphonon coupling and pairing mechanism in β−Bi2Pd centrosymmetric superconductor


K. Ghosh and U. Singisetti
Electron mobility in monoclinic βGa2O3—Effect of plasmonphonon coupling, anisotropy, and confinement


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


L. Chen, Z. Yan, and S. Kumar
Coupled electronphonon transport and heat transfer pathways in graphene nanostructures


K. Ghosh and U. Singisetti
Ab initio velocityfield curves in monoclinic βGa2O3


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


S. Reichardt and L. Wirtz
Ab initio calculation of the G peak intensity of graphene: Laserenergy and Fermienergy dependence and importance of quantum interference effects


M. Fiorentini and N. Bonini
Thermoelectric coefficients of ndoped silicon from first principles via the solution of the Boltzmann transport equation


F. Caruso and F. Giustino
Theory of electronplasmon coupling in semiconductors


A. K. Vallabhaneni, D. Singh, H. Bao, J. Murthy, and X. Ruan
Reliability of Raman measurements of thermal conductivity of singlelayer graphene due to selective electronphonon coupling: A firstprinciples study


A. Kazempour and T. Morshedloo
Pressure dependency of electronphonon renormalization in diamond


J.J. Zhang and S. Dong
Prediction of above 20 K superconductivity of blue phosphorus bilayer with metal intercalations


J.Y. Yang, G. Qin, and M. Hu
Nontrivial contribution of Fröhlich electronphonon interaction to lattice thermal conductivity of wurtzite GaN


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


J.J. Zheng and E. R. Margine
Firstprinciples calculations of the superconducting properties in Lidecorated monolayer graphene within the anisotropic MigdalEliashberg formalism


S. Poncé, E. R. Margine, C. Verdi, and F. Giustino
EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions


E. R. Margine, H. Lambert, and F. Giustino
Electronphonon interaction and pairing mechanism in superconducting Caintercalated bilayer graphene


A. D. Wright, C. Verdi, R. L. Milot, G. E. Eperon, M. A. PerezOsorio, H. J. Snaith, F. Giustino, M. B. Johnston, and L. M. Herz
Electron–phonon coupling in hybrid lead halide perovskites


H. Oh, S. Coh, and M. L. Cohen
Comparative study of highTc superconductivity in H3S and H3P


J.J. Zhou and M. Bernardi
Ab initio electron mobility and polar phonon scattering in GaAs


J. I. Mustafa, M. Bernardi, J. B. Neaton, and S. G. Louie
Ab initio electronic relaxation times and transport in noble metals


K. Ghosh and U. SIngisetti
Ab initio calculation of electron–phonon coupling in monoclinic βGa2O3 crystal


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


Y. Jiang, J. Xi, and Z.Shuai
Mechanism of charge transport in organic semiconductors and carbon nanomaterials


B. Liao, J. Zhou, B. Qiu, M. S. Dresselhaus, and G. Chen
Ab initio study of electronphonon interaction in phosphorene


N. Tandon, J. D. Albrecht, and L. R. RamMohan
Electronphonon interaction and scattering in Si and Ge: Implications for phonon engineering


A. Kazempour
Polaronic correlation offsets in tetrahedral semiconductors


B. Qiu, Z. Tian, A. Vallabhaneni, B. Liao, J. M. Mendoza, O. D. Restrepo, X. Ruan, and G. Chen
Firstprinciples simulation of electron meanfreepath spectra and thermoelectric properties in silicon


C. Verdi and F. Giustino
Fröhlich ElectronPhonon Vertex from First Principles


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


J. Zhou, B. Liao, B. Qiu, S. Hubermana, K. Esfarjanib, M. S. Dresselhausd, and G. Chen
Ab initio optimization of phonon drag effect for lowertemperature thermoelectric energy conversion


B. Liao, B. Qiu, J. Zhou, S. Huberman, K. Esfarjani, and G. Chen
Significant Reduction of Lattice Thermal Conductivity by the ElectronPhonon Interaction in Silicon with High Carrier Concentrations: A FirstPrinciples Study


M. Gao, Z.Y. Lu, and T. Xiang
Prediction of phononmediated hightemperature superconductivity in Li3B4C2


X.L. Zhang and W.M. Liu
ElectronPhonon Coupling and its implication for the superconducting topological insulators


M. Bernardi, D. VigilFowler, C. S. Ong, J. B. Neaton, and S. G. Louie
Ab initio study of hot electrons in GaAs


N Tandon, J. D. Albrecht, and L. R. RamMohan
Electronphonon coupling and associated scattering rates in diamond


J. Xi, D. Wang, Y. Yi, and Z. Shuai
Electronphonon couplings and carrier mobility in graphynes sheet calculated using the Wannierinterpolation approach


E. R. Margine and F. Giustino
Twogap superconductivity in heavily ndoped graphene: Ab initio MigdalEliashberg theory


M. Bernardi, D. VigilFowler, J. Lischner, J. B. Neaton, and S. G. Louie
Ab Initio study of hot carriers in the first picosecond after sunlight absorption in silicon


C.H. Park, N. Bonini, T. Sohier, G. Samsonidze, B. Kozinsky, M. Calandra, F. Mauri, and N. Marzari
Electronphonon Interactions and the intrinsic electrical resistivity of graphene


T. Bazhirov, Y. Sakai, S. Saito, and M. L. Cohen
Electronphonon coupling and superconductivity in Liintercalated layered borocarbide compounds


E. R. Margine and F. Giustino
Anisotropic MigdalEliashberg theory using Wannier functions


K. T. Chan, B. D. Malone, and M. L. Cohen
Pressure dependence of superconductivity in simple cubic phosphorus


T. Bazhirov, S. Coh, S. G. Louie, and M. L. Cohen
Importance of oxygen octahedra tilts for the electronphonon coupling in Kdoped BaBiO3


J. Noffsinger, E. Kioupakis, C. G. Van de Walle, S. G. Louie, and M. L. Cohen
Phononassisted optical absorption in silicon from first principles


K. T. Chan, B. D. Malone, and M. L. Cohen
Electronphonon coupling and superconductivity in arsenic under pressure


C.H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie
Inelastic carrier lifetime in bilayer graphene


N. Vukmirović, C. Bruder, and V. M. Stojanović
Electronphonon coupling in crystalline organic semiconductors: microscopic evidence for nonpolaronic charge carriers


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


T. Bazhirov, J. Noffsinger, and Marvin L. Cohen
Electronphonon coupling in bcc lithium


J. Noffsinger and M. L. Cohen
Superconductivity in monolayer Pb on Si(111) from first principles


F. Giustino, S. G. Louie, and M. L. Cohen
Electronphonon renormalization of the direct band gap of diamond


T. Bazhirov, J. Noffsinger and M. L. Cohen
Superconductivity and electronphonon coupling in lithium and high pressures


J. Noffsinger and M. L. Cohen
Firstprinciples calculation of the electronphonon coupling in ultrathin Pb superconductors: Suppression of the transition temperature by surface phonons


J. Noffsinger, F. Giustino, B. D. Malone, C.H. Park, S. G. Louie, and M. L. Cohen
EPW: A program for calculating the electronphonon coupling using maximally localized Wannier functions


C.H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie
Angleresolved photoemission spectra of graphene from firstprinciples calculations


J. Noffsinger, F. Giustino, S. G. Louie, and M. L. Cohen
Origin of superconductivity in borondoped silicon carbide from first principles


C.H. Park, F. Giustino, C. D. Spataru, M. L. Cohen, and S. G. Louie
Firstprinciples study of electron linewidths in graphene


C.H. Park, F. Giustino, M. L. Cohen, and S. G. Louie
Electronphonon interactions in graphene, bilayer graphene, and graphite


J. Noffsinger, F. Giustino, S. G. Louie, and M. L. Cohen
Firstprinciples study of superconductivity and Fermisurface nesting in ultrahard transition metal carbides


F. Giustino, M. L. Cohen, and S. G. Louie
Small phonon contribution to the photoemission kink in the copper oxide superconductors


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 electronphonon interaction in graphene


C.H. Park, F. Giustino, M. L. Cohen, and S. G. Louie
Velocity renormalization and carrier lifetime in graphene from the electronphonon interaction


F. Giustino, J. R. Yates, I. Souza, M. L. Cohen, and S. G. Louie
Electronphonon interaction via electronic and lattice Wannier functions: superconductivity in borondoped diamond reexamined
