Structural and Electronic Structure of SnO2 by the First-Principle Study

Minoru Oshima; Kenji Yoshino

doi:10.4028/www.scientific.net/MSF.725.265

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HomeMaterials Science ForumMaterials Science Forum Vol. 725Structural and Electronic Structure of SnO2 by the...

Structural and Electronic Structure of SnO₂ by the First-Principle Study

Abstract:

We performed first-principle calculations to investigate the effects of F, Cl and Sb impurities on the electronic properties of SnO₂. We obtained, firstly, the electronic structure of SnO₂, a valence band maximum of SnO₂ is an O 2p orbital and a conduction band minimum was an antibonding Sn 5s and O 2p orbitals dominantly. Secondly, those impurites doped SnO₂ was obtained the electronic structure. The F, Cl and Sb impurities as n-type dopants exhibited shallow donors. This calculation results were in good agreement with our prvious experiment that we obtained the low resistivity SnO₂.

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Materials Science Forum (Volume 725)

Pages:

265-268

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.725.265

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Online since:

July 2012

Authors:

Minoru Oshima, Kenji Yoshino

Keywords:

Cl-Doped SnO₂, F-Doped SnO₂, First Principle Study, Sb-Doped SnO₂, SnO₂

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