Abstract
The results of pseudopotential within the virtual crystal approximation (VCA) combined with the Harrison bond-orbital model calculations of the electronic and lattice dynamic properties of InAs x Sb 1− x are presented. The results include energy band-gaps, elastic constants, sound wave velocities, longitudinal optical (LO) and transversal optical (TO) phonon frequencies. The effect of compositional disorder on the fundamental energy band-gap has been examined and found to be important. Thus, this effect is included in all the calculations of the quantities being studied here. The agreement between our numerically calculated results and the available experimental data is found to be satisfactory. The information derived from the present study shows that InAs x Sb 1− x properties might be useful in optoelectronic applications as regards infrared and mid-infrared spectral regions.
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