Ab initio electron mobility and polar phonon scattering in GaAs

Zhou, Jin-Jian; Bernardi, Marco

doi:10.1103/physrevb.94.201201

Title: Ab initio electron mobility and polar phonon scattering in GaAs

Journal Article · Mon Nov 28 04:00:00 UTC 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.

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

Sponsoring Organization:: USDOE Office of Science (SC)

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

OSTI ID:: 1535797

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

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Title: Ab initio electron mobility and polar phonon scattering in GaAs

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