ELECTRONIC AND STRUCTURAL PROPERTIES OF TIN DIOXIDE IN CUBIC PHASE

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.