Theory of thermal expansivity and bulk modulus for MgO and other minerals at high temperatures

Role of temperature in the numerical analysis of CaO under high pressure

“…There is reasonably good agreement of the proposed modified model with the results of other theoretical data [20]. The success achieved in the present investigation can be ascribed to the realistic approach of our model.…”

“…2. Our results are compared with other theoretical data [20]. The solid lines of presented results show the same trend as given in [20].…”

“…The phase transition pressures and volume changes obtained from the model are presented in Table 2. The values of volume changes of CaO are compared with Shankar et al [20] in different temperature ranges. Our values show the same trend.…”

“…The charge transfer effect seems to be of great importance at high pressure when the inter-ionic separation reduces considerably and the coordination number increases. [20], Eq. 12; f [20], Expt.…”

“…Shanker et al [20] investigated the theory of thermal expansivity and bulk modulus for MgO, CaO and other minerals in the temperature range 300-1800K using the Gruneisen theory of thermal expansion. Karki et al investigated the elastic instabilities in crystal (MgO, CaO) from ab-initio stress strain relations [21], vibrational and quasiharmonic thermal properties of CaO under pressure using first principles [22] and structural and elastic properties of MgO periclase were studied up to 150 GPa with the first principle pseudopotential method within the local density approximation [23].…”