Electron mobility of SnO2 from first principles

Fuente: arXiv
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Main Authors: Wang, Amanda, Bushick, Kyle, Pant, Nick, Lee, Woncheol, Zhang, Xiao, Leveillee, Joshua, Giustino, Feliciano, Poncé, Samuel, Kioupakis, Emmanouil
Format: Preprint
Published: 2024
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_version_ 1866914765336477696
author Wang, Amanda
Bushick, Kyle
Pant, Nick
Lee, Woncheol
Zhang, Xiao
Leveillee, Joshua
Giustino, Feliciano
Poncé, Samuel
Kioupakis, Emmanouil
author_facet Wang, Amanda
Bushick, Kyle
Pant, Nick
Lee, Woncheol
Zhang, Xiao
Leveillee, Joshua
Giustino, Feliciano
Poncé, Samuel
Kioupakis, Emmanouil
contents 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 10^18 cm^-3.
format Preprint
id arxiv_https___arxiv_org_abs_2401_12158
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Electron mobility of SnO2 from first principles
Wang, Amanda
Bushick, Kyle
Pant, Nick
Lee, Woncheol
Zhang, Xiao
Leveillee, Joshua
Giustino, Feliciano
Poncé, Samuel
Kioupakis, Emmanouil
Materials Science
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 10^18 cm^-3.
title Electron mobility of SnO2 from first principles
topic Materials Science
url https://arxiv.org/abs/2401.12158