Electronic properties of GaxIn1−xP from pseudopotential calculations

Based on a pseudopotential scheme within the virtual crystal approximation, we present a theoretical investigation of the electronic properties of GaxIn1−xP. 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 Ga0.50In0.50P derived from pseudopotential band-structure calculations are reported and trends in bonding and ionicity are discussed.