Electronic structure and elastic properties of Cd16Se15Te solid state solution: first principles study

The electronic band structure and elastic properties of the Cd16Se15Te solid state solution in framework density functional theory calculations are investigated. sample is constructed on original binary compound CdSe, which crystallizes cubic phase. Based structure, effective mass electron, heavy hole, light spin-orbit masses reduced G point calculated. In addition, exciton binding energy, refractive index high-frequency dielectric constant Young modulus, shear bulk modulus Poisson ratio calculated theoretically. results coefficients, value acoustic velocity Debye temperature obtained.