Charge density of Ga x Al1 − x Sb

Abstract

Charge density calculations and electronic band structures for Ga x Al1 − x Sb with x = 1.0, 0.5 and 0.0 are presented in this work. The calculations are performed using the empirical pseudopotential method. The charge density is computed for a number of planes, i.e. z = 0.0, 0.125 and 0.25 A 0 by generating the potential through a number of potential parameters available in the literature. The virtual crystal approximation was applied for the semiconducting alloy. The characteristics of the band structure and charge density are observed to be affected by the potential parameters. Calculated band gaps and the nature of gaps are in good agreement with the experimental data reported. The ionicity is also reasonably in good agreement with other scales proposed in the literature; however the formulation needs to be improved. The present work also demands indirect experimental band gap for the alloy.