Abstract
A method for calculating detailed electronic properties of the pseudobinary III-V compound semiconductor alloys is presented. The technique begins with realistic band structures obtained for the constituent compounds by fitting the band-gap symmetry-point energies and effective masses to experimental data, where they are available, and to more sophisticated theoretical results. Then the coherent-potential approximation is used to calculate the alloy band structures and scattering rates. Detailed comparisons between the theoretical predictions and experimental data for three alloys AlxGa1xAs, GaPxAs1x, and GaxIn1xP demonstrate the quantitative nature of the method. Bowing parameters for the Γ, X, and L gaps and the direct-to-indirect band-gap crossover concentrations are all predicted to within the present degree of experimental certainty.