Abstract
Electronic and positron band structures and charge densities of Ga 0.5Al 0.5N using the empirical pseudopotential method (EPM) are investigated. For the ternary alloy Ga 1− x Al x N, the virtual crystal approximation (VCA) is coupled with the pseudopotential method. The energies along Γ, X and L of Ga 1− x Al x N alloy as a function of the mole fraction are calculated. Angular correlation of positron annihilation radiation (ACPAR) along different crystallographic directions in Ga 0.5Al 0.5N is calculated. Other quantities such as ionicity character and bulk modulus by means of recent models with respect to the mole fraction are discussed.
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