The transparent conducting oxide SnO2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic applications. Experimental reports of the electron mobility of this material vary widely depending on the growth conditions and doping concentrations. In this work, we calculate the electron mobility of SnO2 from first principles to examine the temperature and doping concentration dependence and to elucidate the scattering mechanisms that limit transport. We include both electron–phonon scattering and electron-ionized impurity scattering to accurately model scattering in a doped semiconductor. We find a strongly anisotropic mobility that favors transport in the direction parallel to the c-axis. At room temperature and intrinsic carrier concentrations, the low-energy polar-optical phonon modes dominate scattering, while ionized-impurity scattering dominates above 1018 cm−3.
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22 April 2024
Research Article|
April 22 2024
Electron mobility of SnO2 from first principles
Amanda Wang
;
Amanda Wang
a)
(Data curation, Formal analysis, Investigation, Methodology, Writing – original draft)
1
Department of Materials Science and Engineering, University of Michigan
, Ann Arbor, Michigan 48109, USA
a)Author to whom correspondence should be addressed: [email protected]
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Kyle Bushick
;
Kyle Bushick
(Formal analysis, Methodology, Writing – review & editing)
1
Department of Materials Science and Engineering, University of Michigan
, Ann Arbor, Michigan 48109, USA
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Nick Pant
;
Nick Pant
(Formal analysis, Methodology, Writing – review & editing)
1
Department of Materials Science and Engineering, University of Michigan
, Ann Arbor, Michigan 48109, USA
2
Applied Physics Program, University of Michigan
, Ann Arbor, Michigan 48109, USA
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Woncheol Lee
;
Woncheol Lee
(Investigation, Methodology, Writing – review & editing)
3
Department of Electrical and Computer Engineering, University of Michigan
, Ann Arbor, Michigan 48109, USA
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Xiao Zhang
;
Xiao Zhang
(Investigation, Methodology, Writing – review & editing)
1
Department of Materials Science and Engineering, University of Michigan
, Ann Arbor, Michigan 48109, USA
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Joshua Leveillee
;
Joshua Leveillee
b)
(Investigation, Methodology, Writing – review & editing)
4
Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin
, Austin, Texas 78712, USA
5
Department of Physics, The University of Texas at Austin
, Austin, Texas 78712, USA
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Feliciano Giustino
;
Feliciano Giustino
(Resources, Supervision, Writing – review & editing)
4
Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin
, Austin, Texas 78712, USA
5
Department of Physics, The University of Texas at Austin
, Austin, Texas 78712, USA
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Samuel Poncé
;
Samuel Poncé
(Methodology, Supervision, Writing – review & editing)
6
European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain
, Chemin des Étoiles 8, B-1348 Louvain-la-Neuve, Belgium
7
WEL Research Institute
, Avenue Pasteur, 6, 1300 Wavre, Belgium
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Emmanouil Kioupakis
Emmanouil Kioupakis
(Conceptualization, Funding acquisition, Resources, Supervision, Writing – original draft, Writing – review & editing)
1
Department of Materials Science and Engineering, University of Michigan
, Ann Arbor, Michigan 48109, USA
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Amanda Wang
1,a)
Kyle Bushick
1
Nick Pant
1,2
Woncheol Lee
3
Xiao Zhang
1
Joshua Leveillee
4,5,b)
Feliciano Giustino
4,5
Samuel Poncé
6,7
Emmanouil Kioupakis
1
1
Department of Materials Science and Engineering, University of Michigan
, Ann Arbor, Michigan 48109, USA
2
Applied Physics Program, University of Michigan
, Ann Arbor, Michigan 48109, USA
3
Department of Electrical and Computer Engineering, University of Michigan
, Ann Arbor, Michigan 48109, USA
4
Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin
, Austin, Texas 78712, USA
5
Department of Physics, The University of Texas at Austin
, Austin, Texas 78712, USA
6
European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain
, Chemin des Étoiles 8, B-1348 Louvain-la-Neuve, Belgium
7
WEL Research Institute
, Avenue Pasteur, 6, 1300 Wavre, Belgium
a)Author to whom correspondence should be addressed: [email protected]
b)
Present address: Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA; and Center for Nonlinear Studies (CNLS), Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
Appl. Phys. Lett. 124, 172103 (2024)
Article history
Received:
January 19 2024
Accepted:
April 09 2024
Citation
Amanda Wang, Kyle Bushick, Nick Pant, Woncheol Lee, Xiao Zhang, Joshua Leveillee, Feliciano Giustino, Samuel Poncé, Emmanouil Kioupakis; Electron mobility of SnO2 from first principles. Appl. Phys. Lett. 22 April 2024; 124 (17): 172103. https://doi.org/10.1063/5.0198885
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