Structural, elastic and thermophysical properties of divalent metal oxides with NaCl structure

In the present paper, we have investigated the high-pressure structural phase transition of divalent metal oxides using the three-body potential modified by incorporating the covalency effects. Phase transition pressures are associated with a sudden collapse in volume. The phase transition pressures and associated volume collapses obtained from present potential model show a generally better agreement with available experimental data than others. The elastic constants and their pressure derivatives are also reported. It is found that the present model has a promise to predict the phase Transition pressure and, the elastic constants and their pressure derivatives of other chalcogenides as well. Moreover the thermophysical properties have also been obtained successfully. (C) 2009 Elsevier Ltd. All rights reserved.