Abstract
Based on a pseudopotential scheme within the virtual crystal approximation, we present a theoretical investigation of the electronic properties of Ga x In 1− x P. The effect of alloy disorder on energy band-gaps has been examined and found to be not negligible. The composition dependence of energy band-gaps and electron effective mass is shown to be non-linear. In agreement with experiment, a direct-to-indirect band-gap crossover is found to occur close to x = 0.7. Besides, the electron valence and conduction charge densities for Ga 0.50In 0.50P derived from pseudopotential band-structure calculations are reported and trends in bonding and ionicity are discussed.
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