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Electronic Structure of Cubic-Aluminum Nitride | ||
| Journal of University of Babylon | ||
| Article 1, Volume 22, Issue 4, 2014, Pages 1421-1433 | ||
| Authors | ||
| Magged Ali Hapeep; Hamad Rahman Jappor | ||
| Abstract | ||
| A large unit cell (LUC) formalism of eight atoms within intermediate neglect of differential overlap (INDO) is used to study some properties of cubic aluminum nitride, and to study the effect of pressure on these properties. Cohesive energy, direct and indirect band gap, valence bandwidth, conduction bandwidth and hybridized orbitals 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, cohesive energy, direct and indirect band gap, valence bandwidth increase with increasing the pressure, while the conduction bandwidth decreases. | ||
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