Structural elastic and thermal properties of SrxCd1-xO mixed compounds - a theoretical approach

In the present paper, the structural and mechanical properties of alkaline earth oxides mixed compound SrxCd1-xO (0 <= x <= 1) under high pressure have been reported. An extended interaction potential (EIP) model, including the zero point vibrational energy effect, has been developed for this study. Phase transition pressures are associated with a sudden collapse in volume. Phase transition pressure and associated volume collapses [Delta V (Pt)/V(0)] calculated from this approach are in good agreement with the experimental values for the parent compounds (x = 0 and x = 1). The results for the mixed crystal counterparts are also in fair agreement with experimental data generated from the application of Vegard's law to the data for the parent compounds.