Energy gaps and carrier effective masses of quasi-binary (GaP)1−x(ZnSe)x crystals

We present a pseudopotential calculation within the virtual crystal approximation of the energy band gaps and electron and heavy-hole effective masses in zinc blende (GaP)1−x(ZnSe)x quasi-binary crystals. To make allowance for the compositional disorder, the Hamiltonian is described by a component due to the virtual crystal, and another component in which the disorder effects are included. In general, our results are in good agreement with the available experimental data to within a few per cent. The study showed that the calculated electronic quantities in (GaP)1−x(ZnSe)x are significantly different from those in the GaP and ZnSe parent compounds. This could provide more diverse opportunities to obtain desired electronic properties. The information gathered by the present work may be useful for visible applications.