Effect of temperature on the electronic structure of cubic-silicon carbide

Abstract EN

A large unit cell (LUC) formalism of eight atoms within intermediate neglect of differential overlap (INDO) is used to study some properties of cubic-silicon carbide, and to study the effect of temperature on these properties.

Cohesive energy, direct and indirect band gap, valence bandwidth, conduction bandwidth and hybridized orbital's of crystal are obtained from the band structure calculations.

All the aforementioned properties are obtained by selecting empirical parameter sets for LUC-INDO model.

It is found that the result are in good agreement with experimental results, direct and indirect band gap, and valence bandwidth decrease with increasing temperature, while the conduction bandwidth and cohesive energy increase.