Ground state properties from first principle calculations of CdSxTe1−x ternary semiconductors materials

The variation of elastic constants and bulk modulus as function of x using LDA and GGA indicates that both bulk modulus and elastic constants increase when the S concentration increases. The mechanical stability criteria at zero pressure in cubic crystals are all satisfied in CdSxTe1−x; (C11 > 0, C44 > 0, C11 − C12 > 0,C11 + 2C12 > 0 and C12 < B < C11), this means that CdSxTe1−x compounds are mechanically stable at ambient pressure.