Abstract:
We present a theoretical study of the electronic structure and optical properties of zincblende ScxGa1–xN semiconducting ternary alloys for scandium contents in [0, 1]. Our calculations are based on the pseudopotential scheme disregarding the effect of the compositional disorder. The direct and both indirect energy band gaps, the antisymetric gap, the ionicity factor, the effective masses of electrons and heavy holes, the refractive index, the static and high-frequency dielectric constants, the transverse effective charge are all addressed. The obtained results for ScxGa1-xN ternary alloys are in general predictions and may serve as a reference regarding the lack of information on this system. As for GaN , our results are in satisfactory accordance with the available data.
