First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs
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. As a result, such information provides a deeper understanding of the electron transport in GaAs, and the presented framework can be readily applied to other polar materials.
- Authors:
-
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Univ. of Missouri, Columbia, MO (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1388462
- Alternate Identifier(s):
- OSTI ID: 1344135
- Grant/Contract Number:
- SC0001299; FG02-09ER46577
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 95; Journal Issue: 7; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; solar (photovoltaic); solar (thermal); solid state lighting; phonons; thermal conductivity; thermoelectric; defects; mechanical behavior; charge transport; spin dynamics; materials and chemistry by design; optics; synthesis (novel materials); synthesis (self-assembly); synthesis (scalable processing)
Citation Formats
Liu, Te -Huan, Zhou, Jiawei, Liao, Bolin, Singh, David J., and Chen, Gang. First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs. United States: N. p., 2017.
Web. doi:10.1103/PhysRevB.95.075206.
Liu, Te -Huan, Zhou, Jiawei, Liao, Bolin, Singh, David J., & Chen, Gang. First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs. United States. https://doi.org/10.1103/PhysRevB.95.075206
Liu, Te -Huan, Zhou, Jiawei, Liao, Bolin, Singh, David J., and Chen, Gang. Thu .
"First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs". United States. https://doi.org/10.1103/PhysRevB.95.075206. https://www.osti.gov/servlets/purl/1388462.
@article{osti_1388462,
title = {First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs},
author = {Liu, Te -Huan and Zhou, Jiawei and Liao, Bolin and Singh, David J. and Chen, Gang},
abstractNote = {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. As a result, such information provides a deeper understanding of the electron transport in GaAs, and the presented framework can be readily applied to other polar materials.},
doi = {10.1103/PhysRevB.95.075206},
journal = {Physical Review B},
number = 7,
volume = 95,
place = {United States},
year = {Thu Feb 16 00:00:00 EST 2017},
month = {Thu Feb 16 00:00:00 EST 2017}
}
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