First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs
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 coupli...
| Main Authors: | , , , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2017
|
| Online Access: | http://hdl.handle.net/1721.1/107003 https://orcid.org/0000-0002-1157-8540 https://orcid.org/0000-0002-9872-5688 https://orcid.org/0000-0002-0898-0803 https://orcid.org/0000-0002-3968-8530 |
| _version_ | 1826208795951366144 |
|---|---|
| author | Singh, David J. Liu, Te Huan Zhou, Jiawei Liao, Bolin Chen, Gang |
| author2 | Massachusetts Institute of Technology. Department of Mechanical Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Mechanical Engineering Singh, David J. Liu, Te Huan Zhou, Jiawei Liao, Bolin Chen, Gang |
| author_sort | Singh, David J. |
| collection | MIT |
| description | 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. |
| first_indexed | 2024-09-23T14:12:47Z |
| format | Article |
| id | mit-1721.1/107003 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T14:12:47Z |
| publishDate | 2017 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | mit-1721.1/1070032022-10-01T19:48:17Z First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs Singh, David J. Liu, Te Huan Zhou, Jiawei Liao, Bolin Chen, Gang Massachusetts Institute of Technology. Department of Mechanical Engineering Liu, Te Huan Zhou, Jiawei Liao, Bolin Chen, Gang 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. United States. Dept. of Energy. Office of Basic Energy Sciences (Energy Frontiers Research Center. Award DE-FG02-09ER46577) United States. Defense Advanced Research Projects Agency. Matrerials for Transduction Program (Grant HR0011-16-2-0041) 2017-02-21T16:25:39Z 2017-02-21T16:25:39Z 2017-02 2017-01 2017-02-16T23:00:10Z Article http://purl.org/eprint/type/JournalArticle 2469-9950 2469-9969 http://hdl.handle.net/1721.1/107003 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 https://orcid.org/0000-0002-1157-8540 https://orcid.org/0000-0002-9872-5688 https://orcid.org/0000-0002-0898-0803 https://orcid.org/0000-0002-3968-8530 en http://dx.doi.org/10.1103/PhysRevB.95.075206 Physical Review B Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. American Physical Society application/pdf American Physical Society American Physical Society |
| spellingShingle | Singh, David J. Liu, Te Huan Zhou, Jiawei Liao, Bolin Chen, Gang First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs |
| title | First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs |
| title_full | First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs |
| title_fullStr | First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs |
| title_full_unstemmed | First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs |
| title_short | First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs |
| title_sort | first principles mode by mode analysis for electron phonon scattering channels and mean free path spectra in gaas |
| url | http://hdl.handle.net/1721.1/107003 https://orcid.org/0000-0002-1157-8540 https://orcid.org/0000-0002-9872-5688 https://orcid.org/0000-0002-0898-0803 https://orcid.org/0000-0002-3968-8530 |
| work_keys_str_mv | AT singhdavidj firstprinciplesmodebymodeanalysisforelectronphononscatteringchannelsandmeanfreepathspectraingaas AT liutehuan firstprinciplesmodebymodeanalysisforelectronphononscatteringchannelsandmeanfreepathspectraingaas AT zhoujiawei firstprinciplesmodebymodeanalysisforelectronphononscatteringchannelsandmeanfreepathspectraingaas AT liaobolin firstprinciplesmodebymodeanalysisforelectronphononscatteringchannelsandmeanfreepathspectraingaas AT chengang firstprinciplesmodebymodeanalysisforelectronphononscatteringchannelsandmeanfreepathspectraingaas |