Energy gaps, valence and conduction charge densities and optical properties of GaAs1−xPx

Abstract

The electronic structure and its derived valence and conduction charge distributions along with the optical properties of zinc-blende GaAs[Formula: see text]P[Formula: see text] ternary alloys have been studied. The calculations are performed using a pseudopotential approach under the virtual crystal approximation (VCA) which takes into account the compositional disorder effect. Our findings are found to be generally in good accord with experiment. The composition dependence of direct and indirect bandgaps showed a clear bandgap bowing. The nature of the gap is found to depend on phosphorous content. The bonding and ionicity of the material of interest have been examined in terms of the anti-symmetric gap and charge densities. The variation in the optical constants versus phosphorous concentration has been discussed. The present investigation may give a useful applications in infrared and visible spectrum light emitters.