We have determined the pressure dependence of the direct bandgap, ionicity, transverse effective charge and refractive index for CdTe. The study is pe...
We report ab initio calculations of the structural and electronic properties of zincblende AlN. The electronic energy levels and ionicity character ar...
A three-body potential (Tersoff potential) coupled with a molecular-dynamics (MD) method have been used to calculate structural and thermodynamic prop...
We have performed a first-principles full-potential augmented-plane wave plus local orbitals (FP-APW+lo) calculations with density functional theory i...
In this paper, we present a theoretical study of structural, elastic and electronic properties for zinc-blende GaN using the full-potential augmented...
