Abstract
Abstract We report on theoretical study of the energy band gaps for the quaternary alloys Zn1−xMgxSySe1−y in conditions of lattice matching to GaAs substrates using simply the empirical pseudopotential method under the virtual crystal approximation which takes into account the effects of compositional disorder. Our results agree generally very well with the available experimental data. It is shown that the band-gap energies of Zn1−xMgxSySe1−y are expressed by the parabolic function of the composition considering the bowing parameter and that Zn1−xMgxSySe1−y can be a direct or an indirect semiconductor depending on the alloy composition. The Zn0.35Mg0.65S0.6Se0.4 is predicted to meet requirement of the cladding layer for fabricating blue double heterostructure laser diodes using ZnS0.06Se0.94 as the active layer.
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