Ab initio study of electronic properties of zincblende AlN and deformation potentials under hydrostatic stress

Abstract

We report ab initio calculations of the structural and electronic properties of zincblende AlN. The electronic energy levels and ionicity character are studied under hydrostatic pressure effect. Several deformation potentials are obtained. The study is focused on the all electron full potential-linearized augmented plane wave (FP-LAPW) method within the density functional theory (DFT). Our results are compared with other theoretical works. A good agreement is found.