Electronic structure and optical properties of dilute InAs1−xNx: pseudopotential calculations

Abstract

The energy band gaps, the electron and heavy hole effective masses and dielectric constants of ternary dilute alloys InAs1−xNx are calculated using the pseudopotential method. The study was undertaken for small amounts of N. The disorder in these alloys is modeled by an improved virtual crystal approximation approach. The numerical results thus obtained are compared where possible with experimental and previous theoretical data. It is found that the incorporation of a few per cent of N in InAs reduces substantially the fundamental band-gap energy, which is a manifestation of the huge band-gap bowing commonly reported in the III–V–N-type alloys. The behavior of all studied quantities with respect to the nitrogen concentration x is shown to be nonlinear. The information gathered by the present study may be useful for mid-infrared applications.