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Electron and hole mobility of SnO2 from full-band electron-phonon and ionized impurity scattering computations
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Li, Zhen, Graziosi, Patrizio and Neophytou, Neophytos (2022) Electron and hole mobility of SnO2 from full-band electron-phonon and ionized impurity scattering computations. Crystals, 12 (11). 1591. doi:10.3390/cryst12111591 ISSN 2073-4352.
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WRAP-Electron-and-hole-mobility-of-SnO2-from-full-band-electron-phonon-and-ionized-impurity-scattering-computations-Neophytou-2022.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution 4.0. Download (1109Kb) | Preview |
Official URL: http://dx.doi.org/10.3390/cryst12111591
Abstract
Mobility is a key parameter for SnO2, which is extensively studied as a practical transparent oxide n-type semiconductor. In experiments, the mobility of electrons in bulk SnO2 single crystals varies from 70 to 260 cm2V−1s−1 at room temperature. Here, we calculate the mobility as limited by electron–phonon and ionized impurity scattering by coupling the Boltzmann transport equation with density functional theory electronic structures. The linearized Boltzmann transport equation is solved numerically beyond the commonly employed constant relaxation-time approximation by taking into account all energy and momentum dependencies of the scattering rates. Acoustic deformation potential and polar optical phonons are considered for electron–phonon scattering, where polar optical phonon scattering is found to be the main factor which determines the mobility of both electrons and holes at room temperature. The calculated phonon-limited electron mobility is found to be 265 cm2V−1s−1, whereas that of holes is found to be 7.6 cm2V−1s−1. We present the mobility as a function of the carrier concentration, which shows the upper mobility limit. The large difference between the mobilities of n-type and p-type SnO2 is a result of the different effective masses between electrons and holes.
| Item Type: | Journal Article | |||||||||
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| Subjects: | Q Science > QD Chemistry T Technology > TP Chemical technology |
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| Divisions: | Faculty of Science, Engineering and Medicine > Engineering > Engineering | |||||||||
| Library of Congress Subject Headings (LCSH): | Metallic oxides, Tin, Transport theory, Tin -- Transport theory, Density functionals | |||||||||
| Journal or Publication Title: | Crystals | |||||||||
| Publisher: | M D P I AG | |||||||||
| ISSN: | 2073-4352 | |||||||||
| Official Date: | 9 November 2022 | |||||||||
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| Volume: | 12 | |||||||||
| Number: | 11 | |||||||||
| Number of Pages: | 11 | |||||||||
| Article Number: | 1591 | |||||||||
| DOI: | 10.3390/cryst12111591 | |||||||||
| Status: | Peer Reviewed | |||||||||
| Publication Status: | Published | |||||||||
| Access rights to Published version: | Open Access (Creative Commons) | |||||||||
| Date of first compliant deposit: | 9 November 2022 | |||||||||
| Date of first compliant Open Access: | 9 November 2022 | |||||||||
| RIOXX Funder/Project Grant: |
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