Ab initio electron mobility and polar phonon scattering in GaAs
- Creators
- Zhou, Jin-Jian
- Bernardi, Marco
Abstract
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. Here, 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 250–500K. 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.
Additional Information
© 2016 American Physical Society. (Received 10 August 2016; revised manuscript received 18 October 2016; published 28 November 2016) This work was supported by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award No. DE-SC0004993. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.Attached Files
Published - PhysRevB.94.201201.pdf
Submitted - 1608.03514.pdf
Supplemental Material - supplemental_materials.pdf
Files
Additional details
- Eprint ID
- 72314
- Resolver ID
- CaltechAUTHORS:20161128-120519486
- DE-SC0004993
- Department of Energy (DOE)
- DE-AC02-05CH11231
- Department of Energy (DOE)
- Created
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2016-11-28Created from EPrint's datestamp field
- Updated
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2021-11-11Created from EPrint's last_modified field
- Caltech groups
- JCAP