Abstract

A simple analytical method has been developed using the Grover-Saxena equation of state to determine pressure-volume-temperature relationships, bulk modulus and its pressure derivative, Debye temperature, Grüneisen parameter and melting curve of the intermetallic compound MgCu. We have considered a wide range of pressures up to 50GPa, and temperatures up to 1000K. The effect of temperature has been taken into account in terms of the thermal pressure estimated from the Anderson formula. The results are compared with those obtained by earlier workers using the ab initio calculations based on the density functional theory. The Roy-Sarkar model recently developed for the density dependence of Debye frequency based on the first-principles has been used in the present study to investigate variations of Debye temperature and Grüneisen parameter with pressure and temperature. Melting curve for MgCu has been predicted using the Roy-Sarkar model for the density dependence of gamma in the Lindemann law. The simple analytical methods used in the present study are capable of making rapid estimations of the thermoelastic properties and melting curve for MgCu.

Keywords:Equation of state; Bulk modulus; Debye temperature; Grüneisen parameter; Melting curve; MgCu