Author/Authors :
SALEHI، H نويسنده Department of Physics, Shahid Chamran University, Ahvaz, I. R. of Iran , , ARYADOUST، M نويسنده Department of Physics, Shahid Chamran University, Ahvaz, I. R. of Iran , , FARBOD، M نويسنده 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.
