Grüneisen γ and other thermodynamic properties of cesium halide crystals at zero and elevated pressures

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Abstract
The quasiharmonic approximation is used to calculate the Helmholtz free energy F. The interionic forces are represented by a deformation-dipole model, which is parameterized self-consistently. We give parameterized expressions for F that can be used to predict the temperature and volume dependence of the thermodynamic properties of CsCl, CsBr, and CsI. These expressions for F are tested by comparing our predicted values for the heat capacity CP and the thermal expansion α with experimental atmospheric-pressure values. Good agreement is obtained. Predicted values for CV, α, BT, the compression −ΔV/V0, and the Grüneisen γ at elevated pressures are given, as are zero-pressure values for the logarithmic derivative qT= (∂lnγ/∂lnV)T and the Anderson-Grüneisen parameters δS and δT.