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Ab initio electron mobility and polar phonon scattering in GaAs

Zhou, Jin-Jian and Bernardi, Marco (2016) Ab initio electron mobility and polar phonon scattering in GaAs. Physical Review B, 94 (20). Art. No. 201201(R). ISSN 2469-9950. http://resolver.caltech.edu/CaltechAUTHORS:20161128-120519486

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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.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1103/PhysRevB.94.201201DOIArticle
https://arxiv.org/abs/1608.03514arXivDiscussion Paper
https://journals.aps.org/prb/supplemental/10.1103/PhysRevB.94.201201/supplemental_materials.pdfPublisherSupplemental Material
ORCID:
AuthorORCID
Zhou, Jin-Jian0000-0002-1182-9186
Bernardi, Marco0000-0001-7289-9666
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.
Group:JCAP
Funders:
Funding AgencyGrant Number
Department of Energy (DOE)DE-SC0004993
Department of Energy (DOE)DE-AC02-05CH11231
Record Number:CaltechAUTHORS:20161128-120519486
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20161128-120519486
Official Citation:Ab initio electron mobility and polar phonon scattering in GaAs Jin-Jian Zhou and Marco Bernardi Phys. Rev. B 94, 201201(R)
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:72314
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:28 Nov 2016 20:31
Last Modified:20 May 2019 22:56

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