First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs
Name
PhysRevB.95.075206.pdf
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2.16 MB
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Adobe PDF
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Author(s)
Singh, David J.
Liu, Te Huan
Zhou, Jiawei
Liao, Bolin
Chen, Gang
Date Issued
February 2017
Journal
Physical Review B
Publisher
American Physical Society
Citation
Liu, Te-Huan et al. “First-Principles Mode-by-Mode Analysis for Electron-Phonon Scattering Channels and Mean Free Path Spectra in GaAs.” Physical Review B 95.7 (2017): n. pag. © 2017 American Physical Society
Version
Final published version
Abstract
We present a first-principles framework to investigate the electron scattering channels and transport properties for polar materials by combining the exact solution of the linearized electron-phonon (e-ph) Boltzmann transport equation in its integral-differential form associated with the e-ph coupling matrices obtained from the polar Wannier interpolation scheme. No ad hoc parameter is required throughout this calculation, and GaAs, a well-studied polar material, is used as an example to demonstrate this method. In this work, the long-range and short-range contributions as well as the intravalley and intervalley transitions in the e-ph interactions (EPIs) have been quantitatively addressed. Promoted by such mode-by-mode analysis, we find that in GaAs, the piezoelectric scattering is comparable to deformation-potential scattering for electron scatterings by acoustic phonons in EPI even at room temperature, and it makes a significant contribution to mobility. Furthermore, we achieved good agreement with experimental data for the mobility, and we identified that electrons with mean free paths between 130 and 210 nm provide the dominant contribution to the electron transport at 300 K. Such information provides a deeper understanding of the electron transport in GaAs, and the presented framework can be readily applied to other polar materials.
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
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DOI of Published Version
https://doi.org/10.1103/PhysRevB.95.075206
