ELECTRONIC AND STRUCTURAL PROPERTIES OF TIN DIOXIDE IN CUBIC PHASE

Authors

Department of Physics, Shahid Chamran University, Ahvaz, I. R. of Iran

Abstract

The electronic structure, energy band structure and electronic density of 2 SnO ceramic in cubic
phase have been investigated using first principle full potential-linearized augmented plane wave (FP-LAPW)
method within density functional theory (DFT). Local density approximation (LDA) and the generalized
gradient approximation (GGA), which are based on exchange- correlation energy optimization were used.
The band gap was 2.2 eV at  point in the Brillouin zone within our approach. Calculations of the band
structure and electronic structure of 2 SnO were in a good agreement with the previous experimental and
theoretical results with different approximations. Moreover, electronic density map shows that the bonding
between Sn and O atoms is ionic.

Keywords

Iranian Journal of Science
Volume 34, Issue 2 - Serial Number 2
May and June 2010
Pages 131-138

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