Ab initio electron mobility and polar phonon scattering in GaAs

Zhou, Jin-Jian; Bernardi, Marco

doi:10.1103/physrevb.94.201201

Ab initio electron mobility and polar phonon scattering in GaAs

Journal Article · Mon Nov 28 00:00:00 EST 2016 · Physical Review B

DOI:https://doi.org/10.1103/physrevb.94.201201· OSTI ID:1535797

Zhou, Jin-Jian ^[1]; Bernardi, Marco ^[2]

California Institute of Technology (CalTech), Pasadena, CA (United States); DOE/OSTI
California Institute of Technology (CalTech), Pasadena, CA (United States)

In polar semiconductors and oxides, the long-range nature of the electron-phonon (e- ph) interaction is a bottleneck to compute charge transport from first principles. In this work, we develop an efficient ab initio scheme to compute and converge the e- ph relaxation times (RTs) and electron mobility in polar materials. We apply our approach to GaAs, where by using the Boltzmann equation with state-dependent RTs, we compute mobilities in excellent agreement with experiment at 250 – 500 K . The e- ph RTs and the phonon contributions to intravalley and intervalley e- ph scattering are also analyzed. Our work enables efficient ab initio computations of transport and carrier dynamics in polar materials.

View Accepted Manuscript (DOE)

Research Organization:: California Inst. of Technology (CalTech), Pasadena, CA (United States); Univ. of California, Oakland, CA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC)

Grant/Contract Number:: AC02-05CH11231; SC0004993

OSTI ID:: 1535797

Alternate ID(s):: OSTI ID: 1333582

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 20 Vol. 94; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (55)

Realization of Room-Temperature Phonon-Limited Carrier Transport in Monolayer MoS ₂ by Dielectric and Carrier Screening Yu, Zhihao; Ong, Zhun-Yong; Pan, Yiming Advanced Materials, Vol. 28, Issue 3 https://doi.org/10.1002/adma.201503033	journal	November 2015
Fundamentals of Semiconductors Yu, Peter Y.; Cardona, Manuel Graduate Texts in Physics https://doi.org/10.1007/978-3-642-00710-1	book	January 2010
Fundamentals of Semiconductors Yu, Peter Y.; Cardona, Manuel Springer Berlin, Heidelberg https://doi.org/10.1007/978-3-662-03313-5	book	January 1996
Thermal expansion and heat capacity of GaAs and InAs Glazov, V. M.; Pashinkin, A. S. Inorganic Materials, Vol. 36, Issue 3 https://doi.org/10.1007/BF02757926	journal	March 2000
Fundamentals of Semiconductors: Physics and Materials Properties Yu, Peter Y.; Cardona, Manuel Graduate Texts in Physics https://doi.org/10.1007/b137661	book	January 2005
High purity GaAs by liquid phase epitaxy Hicks, H. G. B.; Manley, D. F. Solid State Communications, Vol. 7, Issue 20 https://doi.org/10.1016/0038-1098(69)90022-2	journal	October 1969
High-temperature carrier transport in n-type epitaxial GaAs Nichols, K. H.; Yee, Camellia M. L.; Wolfe, C. M. Solid-State Electronics, Vol. 23, Issue 2 https://doi.org/10.1016/0038-1101(80)90144-6	journal	February 1980
EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions Noffsinger, Jesse; Giustino, Feliciano; Malone, Brad D. Computer Physics Communications, Vol. 181, Issue 12, p. 2140-2148 https://doi.org/10.1016/j.cpc.2010.08.027	journal	December 2010
BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis Pizzi, Giovanni; Volja, Dmitri; Kozinsky, Boris Computer Physics Communications, Vol. 185, Issue 1 https://doi.org/10.1016/j.cpc.2013.09.015	journal	January 2014
An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions Mostofi, Arash A.; Yates, Jonathan R.; Pizzi, Giovanni Computer Physics Communications, Vol. 185, Issue 8 https://doi.org/10.1016/j.cpc.2014.05.003	journal	August 2014
Electron–Phonon Interactions and the Intrinsic Electrical Resistivity of Graphene Park, Cheol-Hwan; Bonini, Nicola; Sohier, Thibault Nano Letters, Vol. 14, Issue 3 https://doi.org/10.1021/nl402696q	journal	February 2014
Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals Bernardi, Marco; Mustafa, Jamal; Neaton, Jeffrey B. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8044	journal	June 2015
Electron Mobility in High‐Purity GaAs Wolfe, C. M.; Stillman, G. E.; Lindley, W. T. Journal of Applied Physics, Vol. 41, Issue 7 https://doi.org/10.1063/1.1659368	journal	June 1970
First-principles calculations of electron mobilities in silicon: Phonon and Coulomb scattering Restrepo, O. D.; Varga, K.; Pantelides, S. T. Applied Physics Letters, Vol. 94, Issue 21 https://doi.org/10.1063/1.3147189	journal	May 2009
Semiconducting and other major properties of gallium arsenide Blakemore, J. S. Journal of Applied Physics, Vol. 53, Issue 10 https://doi.org/10.1063/1.331665	journal	October 1982
Temperature dependence of the electronic structure of semiconductors and insulators Poncé, S.; Gillet, Y.; Laflamme Janssen, J. The Journal of Chemical Physics, Vol. 143, Issue 10 https://doi.org/10.1063/1.4927081	journal	September 2015
Ab initio study of hot electrons in GaAs Bernardi, Marco; Vigil-Fowler, Derek; Ong, Chin Shen Proceedings of the National Academy of Sciences, Vol. 112, Issue 17 https://doi.org/10.1073/pnas.1419446112	journal	April 2015
Electrons in lattice fields Fröhlich, H. Advances in Physics, Vol. 3, Issue 11, p. 325-361 https://doi.org/10.1080/00018735400101213	journal	July 1954
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Microscopic theory of electron-phonon interaction in insulators or semiconductors Vogl, P. Physical Review B, Vol. 13, Issue 2 https://doi.org/10.1103/PhysRevB.13.694	journal	January 1976
Electron Mobility in Direct-Gap Polar Semiconductors Rode, D. L. Physical Review B, Vol. 2, Issue 4 https://doi.org/10.1103/PhysRevB.2.1012	journal	August 1970
Self-interaction correction to density-functional approximations for many-electron systems Perdew, J. P.; Zunger, Alex Physical Review B, Vol. 23, Issue 10, p. 5048-5079 https://doi.org/10.1103/PhysRevB.23.5048	journal	May 1981
Electron Transport in GaAs Rode, D. L.; Knight, S. Physical Review B, Vol. 3, Issue 8 https://doi.org/10.1103/PhysRevB.3.2534	journal	April 1971
Efficient pseudopotentials for plane-wave calculations Troullier, N.; Martins, José Luriaas Physical Review B, Vol. 43, Issue 3 https://doi.org/10.1103/PhysRevB.43.1993	journal	January 1991
Improved tetrahedron method for Brillouin-zone integrations Blöchl, Peter E.; Jepsen, O.; Andersen, O. K. Physical Review B, Vol. 49, Issue 23 https://doi.org/10.1103/PhysRevB.49.16223	journal	June 1994
Electrical Properties of n -Type Epitaxial GaAs at High Temperatures Blood, P. Physical Review B, Vol. 6, Issue 6 https://doi.org/10.1103/PhysRevB.6.2257	journal	September 1972
Spectral and Fermi surface properties from Wannier interpolation Yates, Jonathan R.; Wang, Xinjie; Vanderbilt, David Physical Review B, Vol. 75, Issue 19 https://doi.org/10.1103/PhysRevB.75.195121	journal	May 2007
Electron-phonon interaction using Wannier functions Giustino, Feliciano; Cohen, Marvin L.; Louie, Steven G. Physical Review B, Vol. 76, Issue 16 https://doi.org/10.1103/PhysRevB.76.165108	journal	October 2007
Phonon-limited mobility in n -type single-layer MoS 2 from first principles Kaasbjerg, Kristen; Thygesen, Kristian S.; Jacobsen, Karsten W. Physical Review B, Vol. 85, Issue 11 https://doi.org/10.1103/PhysRevB.85.115317	journal	March 2012
Intrinsic electrical transport properties of monolayer silicene and MoS 2 from first principles Li, Xiaodong; Mullen, Jeffrey T.; Jin, Zhenghe Physical Review B, Vol. 87, Issue 11 https://doi.org/10.1103/PhysRevB.87.115418	journal	March 2013
Electron-electron and electron-phonon correlation effects on the finite-temperature electronic and optical properties of zinc-blende GaN Kawai, Hiroki; Yamashita, Koichi; Cannuccia, Elena Physical Review B, Vol. 89, Issue 8 https://doi.org/10.1103/PhysRevB.89.085202	journal	February 2014
Ab initio electronic transport model with explicit solution to the linearized Boltzmann transport equation Faghaninia, Alireza; Ager, Joel W.; Lo, Cynthia S. Physical Review B, Vol. 91, Issue 23 https://doi.org/10.1103/PhysRevB.91.235123	journal	June 2015
Wannier interpolation of the electron-phonon matrix elements in polar semiconductors: Polar-optical coupling in GaAs Sjakste, J.; Vast, N.; Calandra, M. Physical Review B, Vol. 92, Issue 5 https://doi.org/10.1103/PhysRevB.92.054307	journal	August 2015
Electrical transport limited by electron-phonon coupling from Boltzmann transport equation: An ab initio study of Si, Al, and MoS 2 Li, Wu Physical Review B, Vol. 92, Issue 7 https://doi.org/10.1103/PhysRevB.92.075405	journal	August 2015
First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials Gunst, Tue; Markussen, Troels; Stokbro, Kurt Physical Review B, Vol. 93, Issue 3 https://doi.org/10.1103/PhysRevB.93.035414	journal	January 2016
Formation of hot-electron ensembles quasiequilibrated in momentum space by ultrafast momentum scattering of highly excited hot electrons photoinjected into the Γ valley of GaAs Tanimura, Hiroshi; Kanasaki, Jun'ichi; Tanimura, Katsumi Physical Review B, Vol. 93, Issue 16 https://doi.org/10.1103/PhysRevB.93.161203	journal	April 2016
Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations Sohier, Thibault; Calandra, Matteo; Mauri, Francesco Physical Review B, Vol. 94, Issue 8 https://doi.org/10.1103/PhysRevB.94.085415	journal	August 2016
Influence of Fröhlich polaron coupling on renormalized electron bands in polar semiconductors: Results for zinc-blende GaN Nery, Jean Paul; Allen, Philip B. Physical Review B, Vol. 94, Issue 11 https://doi.org/10.1103/PhysRevB.94.115135	journal	September 2016
Ab initio electronic relaxation times and transport in noble metals Mustafa, Jamal I.; Bernardi, Marco; Neaton, Jeffrey B. Physical Review B, Vol. 94, Issue 15 https://doi.org/10.1103/PhysRevB.94.155105	journal	October 2016
Many-Body Effects on the Zero-Point Renormalization of the Band Structure Antonius, G.; Poncé, S.; Boulanger, P. Physical Review Letters, Vol. 112, Issue 21 https://doi.org/10.1103/PhysRevLett.112.215501	journal	May 2014
Intrinsic Mobility Limiting Mechanisms in Lanthanum-Doped Strontium Titanate Verma, Amit; Kajdos, Adam P.; Cain, Tyler A. Physical Review Letters, Vol. 112, Issue 21 https://doi.org/10.1103/PhysRevLett.112.216601	journal	May 2014
Ab Initio Study of Hot Carriers in the First Picosecond after Sunlight Absorption in Silicon Bernardi, Marco; Vigil-Fowler, Derek; Lischner, Johannes Physical Review Letters, Vol. 112, Issue 25 https://doi.org/10.1103/PhysRevLett.112.257402	journal	June 2014
Fröhlich Electron-Phonon Vertex from First Principles Verdi, Carla; Giustino, Feliciano Physical Review Letters, Vol. 115, Issue 17 https://doi.org/10.1103/PhysRevLett.115.176401	journal	October 2015
Subpicosecond Time-Resolved Raman Spectroscopy of LO Phonons in GaAs Kash, J. A.; Tsang, J. C.; Hvam, J. M. Physical Review Letters, Vol. 54, Issue 19 https://doi.org/10.1103/PhysRevLett.54.2151	journal	May 1985
Phonons and related crystal properties from density-functional perturbation theory Baroni, Stefano; de Gironcoli, Stefano; Dal Corso, Andrea Reviews of Modern Physics, Vol. 73, Issue 2 https://doi.org/10.1103/RevModPhys.73.515	journal	July 2001
First-principles dynamics of electrons and phonons* Bernardi, Marco The European Physical Journal B, Vol. 89, Issue 11 https://doi.org/10.1140/epjb/e2016-70399-4	journal	November 2016
Condensed Matter in a Nutshell Mahan, Gerald D. https://doi.org/10.1515/9781400837021	book	December 2011
Condensed Matter in a Nutshell Mahan, Gerald D. https://doi.org/10.2307/j.ctvcm4htt	book	January 2011
EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions Noffsinger, Jesse; Giustino, Feliciano; Malone, Brad D. arXiv https://doi.org/10.48550/arxiv.1005.4418	text	January 2010
BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis Pizzi, Giovanni; Volja, Dmitri; Kozinsky, Boris arXiv https://doi.org/10.48550/arxiv.1305.1587	text	January 2013
ab initio Electronic Transport Model with Explicit Solution to the Linearized Boltzmann Transport Equation Faghaninia, Alireza; Ager, Joel W.; Lo, Cynthia S. arXiv https://doi.org/10.48550/arxiv.1501.05292	text	January 2015
Temperature dependence of the electronic structure of semiconductors and insulators Poncé, Samuel; Gillet, Yannick; Janssen, Jonathan Laflamme arXiv https://doi.org/10.48550/arxiv.1504.05992	preprint	January 2015
Wannier interpolation of the electron-phonon matrix elements in polar semiconductors: Polar-optical coupling in GaAs Sjakste, J.; Vast, N.; Calandra, M. arXiv https://doi.org/10.48550/arxiv.1508.06172	text	January 2015
Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations Sohier, Thibault; Calandra, Matteo; Mauri, Francesco arXiv https://doi.org/10.48550/arxiv.1605.08207	text	January 2016
Spectral and Fermi surface properties from Wannier interpolation Yates, Jonathan R.; Wang, Xinjie; Vanderbilt, David arXiv https://doi.org/10.48550/arxiv.cond-mat/0702554	text	January 2007

Cited By (39)

Electron–Phonon Scattering in AlAs and Its Response to Hydrostatic Pressure Tandon, Nandan; Ram-Mohan, L. R.; Albrecht, J. D. Journal of Electronic Materials, Vol. 47, Issue 12 https://doi.org/10.1007/s11664-018-6651-5	journal	September 2018
Evaporative electron cooling in asymmetric double barrier semiconductor heterostructures Yangui, Aymen; Bescond, Marc; Yan, Tifei Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-12488-9	journal	October 2019
Phonon transport and thermoelectric properties of semiconducting Bi ₂ Te ₂ X (X = S, Se, Te) monolayers Rashid, Zahid; Nissimagoudar, Arun S.; Li, Wu Physical Chemistry Chemical Physics, Vol. 21, Issue 10 https://doi.org/10.1039/c8cp05793a	journal	January 2019
Ab initio velocity-field curves in monoclinic β-Ga ₂ O ₃ Ghosh, Krishnendu; Singisetti, Uttam Journal of Applied Physics, Vol. 122, Issue 3 https://doi.org/10.1063/1.4986174	journal	July 2017
Thermoelectric band engineering: The role of carrier scattering Witkoske, Evan; Wang, Xufeng; Lundstrom, Mark Journal of Applied Physics, Vol. 122, Issue 17 https://doi.org/10.1063/1.4994696	journal	November 2017
Plasma physics of liquids—A focused review Vanraes, Patrick; Bogaerts, Annemie Applied Physics Reviews, Vol. 5, Issue 3 https://doi.org/10.1063/1.5020511	journal	September 2018
Impact ionization in β-Ga ₂ O ₃ Ghosh, Krishnendu; Singisetti, Uttam Journal of Applied Physics, Vol. 124, Issue 8 https://doi.org/10.1063/1.5034120	journal	August 2018
Resolving different scattering effects on the thermal and electrical transport in doped SnSe Li, Shouhang; Tong, Zhen; Bao, Hua Journal of Applied Physics, Vol. 126, Issue 2 https://doi.org/10.1063/1.5098340	journal	July 2019
Electron mean-free-path filtering in Dirac material for improved thermoelectric performance Liu, Te-Huan; Zhou, Jiawei; Li, Mingda Proceedings of the National Academy of Sciences, Vol. 115, Issue 5 https://doi.org/10.1073/pnas.1715477115	journal	January 2018
Advances in thermoelectrics Mao, Jun; Liu, Zihang; Zhou, Jiawei Advances in Physics, Vol. 67, Issue 2 https://doi.org/10.1080/00018732.2018.1551715	journal	April 2018
Hot electron relaxation dynamics in semiconductors: assessing the strength of the electron–phonon coupling from the theoretical and experimental viewpoints Sjakste, J.; Tanimura, K.; Barbarino, G. Journal of Physics: Condensed Matter, Vol. 30, Issue 35 https://doi.org/10.1088/1361-648x/aad487	journal	August 2018
Theoretical prediction of intrinsic electron mobility of monolayer InSe: first-principles calculation Shi, Li-Bin; Cao, Shuo; Yang, Mei Journal of Physics: Condensed Matter, Vol. 32, Issue 6 https://doi.org/10.1088/1361-648x/ab534f	journal	November 2019
First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials Poncé, Samuel; Li, Wenbin; Reichardt, Sven Reports on Progress in Physics, Vol. 83, Issue 3 https://doi.org/10.1088/1361-6633/ab6a43	journal	February 2020
Unusual thermoelectric transport anisotropy in quasi-two-dimensional rhombohedral GeTe Askarpour, Vahid; Maassen, Jesse Physical Review B, Vol. 100, Issue 7 https://doi.org/10.1103/physrevb.100.075201	journal	August 2019
Hole mobility of strained GaN from first principles Poncé, Samuel; Jena, Debdeep; Giustino, Feliciano Physical Review B, Vol. 100, Issue 8 https://doi.org/10.1103/physrevb.100.085204	journal	August 2019
First-principles study of electron-phonon interactions and transport in anatase TiO 2 Kang, Youngho; Peelaers, Hartwin; Van de Walle, Chris G. Physical Review B, Vol. 100, Issue 12 https://doi.org/10.1103/physrevb.100.121113	journal	September 2019
Leveraging electron-phonon interaction to enhance the thermoelectric power factor in graphene-like semimetals Xia, Yi; Park, Junsoo; Ozoliņš, Vidvuds Physical Review B, Vol. 100, Issue 20 https://doi.org/10.1103/physrevb.100.201401	journal	November 2019
First-principles study of transport in WO 3 Wang, Wennie; Kang, Youngho; Peelaers, Hartwin Physical Review B, Vol. 101, Issue 4 https://doi.org/10.1103/physrevb.101.045116	journal	January 2020
Spin-phonon relaxation times in centrosymmetric materials from first principles Park, Jinsoo; Zhou, Jin-Jian; Bernardi, Marco Physical Review B, Vol. 101, Issue 4 https://doi.org/10.1103/physrevb.101.045202	journal	January 2020
Atomistic T -matrix theory of disordered two-dimensional materials: Bound states, spectral properties, quasiparticle scattering, and transport Kaasbjerg, Kristen Physical Review B, Vol. 101, Issue 4 https://doi.org/10.1103/physrevb.101.045433	journal	January 2020
First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs Liu, Te-Huan; Zhou, Jiawei; Liao, Bolin Physical Review B, Vol. 95, Issue 7 https://doi.org/10.1103/physrevb.95.075206	journal	February 2017
First-principles study of electron and hole mobilities of Si and GaAs Ma, Jinlong; Nissimagoudar, Arun S.; Li, Wu Physical Review B, Vol. 97, Issue 4 https://doi.org/10.1103/physrevb.97.045201	journal	January 2018
Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal Lee, Nien-En; Zhou, Jin-Jian; Agapito, Luis A. Physical Review B, Vol. 97, Issue 11 https://doi.org/10.1103/physrevb.97.115203	journal	March 2018
Intrinsic phonon-limited charge carrier mobilities in thermoelectric SnSe Ma, Jinlong; Chen, Yani; Li, Wu Physical Review B, Vol. 97, Issue 20 https://doi.org/10.1103/physrevb.97.205207	journal	May 2018
Ab initio electron-phonon interactions using atomic orbital wave functions Agapito, Luis A.; Bernardi, Marco Physical Review B, Vol. 97, Issue 23 https://doi.org/10.1103/physrevb.97.235146	journal	June 2018
Simultaneously high electron and hole mobilities in cubic boron-V compounds: BP, BAs, and BSb Liu, Te-Huan; Song, Bai; Meroueh, Laureen Physical Review B, Vol. 98, Issue 8 https://doi.org/10.1103/physrevb.98.081203	journal	August 2018
Magnetotransport phenomena in p -doped diamond from first principles Macheda, Francesco; Bonini, Nicola Physical Review B, Vol. 98, Issue 20 https://doi.org/10.1103/physrevb.98.201201	journal	November 2018
Dominant electron-phonon scattering mechanisms in n -type PbTe from first principles Cao, Jiang; Querales-Flores, José D.; Murphy, Aoife R. Physical Review B, Vol. 98, Issue 20 https://doi.org/10.1103/physrevb.98.205202	journal	November 2018
Charge carrier mobility in systems with local electron-phonon interaction Prodanović, Nikola; Vukmirović, Nenad Physical Review B, Vol. 99, Issue 10 https://doi.org/10.1103/physrevb.99.104304	journal	March 2019
Theory of the phonon side-jump contribution in anomalous Hall effect Xiao, Cong; Liu, Ying; Xie, Ming Physical Review B, Vol. 99, Issue 24 https://doi.org/10.1103/physrevb.99.245418	journal	June 2019
Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in SrTiO 3 Perovskite from First Principles Zhou, Jin-Jian; Hellman, Olle; Bernardi, Marco Physical Review Letters, Vol. 121, Issue 22 https://doi.org/10.1103/physrevlett.121.226603	journal	November 2018
Mobility of two-dimensional materials from first principles in an accurate and automated framework Sohier, Thibault; Campi, Davide; Marzari, Nicola Physical Review Materials, Vol. 2, Issue 11 https://doi.org/10.1103/physrevmaterials.2.114010	journal	November 2018
Efficient ab initio calculations of electron-defect scattering and defect-limited carrier mobility Lu, I-Te; Zhou, Jin-Jian; Bernardi, Marco Physical Review Materials, Vol. 3, Issue 3 https://doi.org/10.1103/physrevmaterials.3.033804	journal	March 2019
Predicting charge transport in the presence of polarons: The beyond-quasiparticle regime in SrTiO 3 Zhou, Jin-Jian; Bernardi, Marco Physical Review Research, Vol. 1, Issue 3 https://doi.org/10.1103/physrevresearch.1.033138	journal	December 2019
Large thermoelectric power factor of high-mobility transition-metal dichalcogenides with 1 T ″ phase Ge, Yanfeng; Wan, Wenhui; Ren, Yulu Physical Review Research, Vol. 2, Issue 1 https://doi.org/10.1103/physrevresearch.2.013134	journal	February 2020
Ab Initio Electron-Phonon Interactions Using Atomic Orbital Wavefunctions Agapito, Luis A.; Bernardi, Marco arXiv https://doi.org/10.48550/arxiv.1803.06374	text	January 2018
Simultaneously high electron and hole mobilities in cubic boron-V compounds: BP, BAs and BSb Liu, Te-Huan; Song, Bai; Meroueh, Laureen arXiv https://doi.org/10.48550/arxiv.1807.02732	text	January 2018
Leveraging Electron-Phonon Interaction to Enhance Thermoelectric Power Factor in Graphene-Like Semimetals Xia, Yi; Park, Junsoo; Ozoliņš, Vidvuds arXiv https://doi.org/10.48550/arxiv.1906.00115	text	January 2019
First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials Poncé, Samuel; Li, Wenbin; Reichardt, Sven arXiv https://doi.org/10.48550/arxiv.1908.01733	text	January 2019

Similar Records

Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN

Journal Article · Sun Sep 20 20:00:00 EDT 2020 · Physical Review Letters · OSTI ID:1801645

First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs

Journal Article · Wed Feb 15 19:00:00 EST 2017 · Physical Review B · OSTI ID:1388462

$\mathrm{Perturbo}$: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics

Journal Article · Sun Mar 21 20:00:00 EDT 2021 · Computer Physics Communications · OSTI ID:1850879

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
Boltzmann theory
Wannier function methods
density functional theory
electrical conductivity
electron-phonon coupling
materials science
phonons
physics
semiconductor compounds
semiconductors
single crystal materials

Ab initio electron mobility and polar phonon scattering in GaAs

Citation Formats

References (55)

Cited By (39)

Similar Records

Related Subjects