High-pressure P-V relation and Gruneisen parameter for elemental strontium

The functional relationship among the thermodynamical variables for a system in equilibrium, equation of state (EOS), provides an insight to tile dependence ofthe inicroscopic internal structure of the material. In this regard, we have caculated static and dynamic P-V curve for divalent/fcc-Sr. Vibrational contribution to the Helmholtz free energy is evaluated within recently proposed mean-field potential (MFP) approximation with the local pseudopotential. Temperature dependence of thermodynamic Gruneisen parameter (gamma(th)), a quantity that enters the Mie-Gruneisen form of EOS, is also obtained. Results so obtained are in good agreement with the experimental and other theoretical estimates. Use of present coupling scheme (i.e. MFP + pseudopotential) is thus justified; which has an added benefit of computational simplicity.