Electronic studies of alloy Ga1-xAlxN alloys

Abstract

Electronic band structures and charge densities of GaN, AlN, and their alloy Ga0.5Al0.5N in zinc-blende structure using empirical pseudopotential method are investigated. For the Ga1-xAlxN ternary alloy, the virtual crystal approximation is coupled with the pseudopotential method. The energies along f, X, and L of Ga1-xAlxN alloy as a function of the alloy concentration is calculated. Angular correlation of positron annihilation radiation along different crystallographic directions in GaN, AlN, and Ga0.5Al0.5N is calculated. Other quantities such as ionicity character and bulk modulus by means of recent models with respect to the alloy concentration are discussed.