Optoelectronic properties of zinc blende ZnSSe and ZnBeTe alloys

Abstract

The compositional dependence of the electronic band structure has been computed for zinc blende ZnSxSe1−x and Zn1−xBexTe alloys with composition x ranging from 0 to 1. The empirical pseudo potential method with the virtual crystal approximation have been used. A particlar attention has been paid to the effect of alloy disorder on the electronic properties of the II-VI studied compounds. For this purpose, the compositional disorder is added to the virtual crystal approximation as an effective potential. Such correction approximates significantly our calculated values of the band gap bowing parameters to experimental ones. The ZnSxSe1−x gap energy shows a nonlinear behavior with strong bowing for low compositions of sulfur. The Zn1−xBexTe compound, as it is known, can be direct or indirect semiconductor depending on its beryllium composition x. The electron effective mass and the refractive index have been investigated as well. Polynomial approximations are obtained for both the energy gap and the effective mass as functions of alloy composition at Γ and X valleys.

A study of sulfur/selenium substitution effects on physical and mechanical properties of vacuum-grown ZnS1−xSex compounds using Boubaker polynomials expansion scheme (BPES)

“…This feature is very interesting since it evokes Zn-S-Se lattice symmetrical properties mentioned by Abdi-Ben Nasrallah et al [38] and Sporken et al [39].…”

Temperature and hydrostatic pressure dependence of the electronic structure of AlxGa1−xAs alloys

“…The refractive index has been calculated using three different models that are related directly to the energy band-gap E g ðx,ZÞ [45].…”

FP‐LAPW investigations of Zn1–xBexS, Zn1–xBexSe and Zn1–xBexTe ternary alloys

“…The possible development of heterostructures based on these new material systems needs a detailed investigation of these alloys. Although the structural and electronic properties of Zn 1-x Be x Se and Zn 1-x Be x Te alloys have been extensively studied experimentally [7][8][9][10][11][12][13][14][15][16] and to a lesser extent theoretically [17,18] during the past few years, to the best of our knowledge no experimental or theoretical investigations of Zn 1-x Be x S alloy have appeared in the literature. Hence, in order to exploit fully these materials for new optical devices, the structural and electronic properties of these alloys need to be investigated in more detail.…”