Raman wavenumbers calculated as a function of pressure from the mode Grüneisen parameter of PZT (x=0.48) ceramic close to the monoclinic-cubic transition

Abstract

The isothermal mode Grüneisen parameter [Formula: see text] of some Raman modes in [Formula: see text]TixO3 (PZT, [Formula: see text]) were calculated as a function of pressure by means of the observed pressure-dependent volume data of PZT ([Formula: see text]) crystal from the literature at room temperature of 298[Formula: see text]K. Those calculated values of [Formula: see text] were then used to compute the pressure dependence of the Raman modes in PZT ([Formula: see text]) ceramic studied here. The observed and calculated values of the Raman wavenumbers in PZT were in good agreement, which indicates that the isothermal mode Grüneisen parameter can also be used to predict the pressure-dependent wavenumbers of some other perovskite-type crystals. Additionally, the pressure dependence of the thermodynamic quantities such as isothermal compressibility [Formula: see text], thermal expansion [Formula: see text] and the specific heat [Formula: see text] of PZT ([Formula: see text]) ceramic were predicted at constant temperature of 298[Formula: see text]K. Here, the experimentally measurable thermodynamic quantities calculated for PZT ([Formula: see text]) ceramics provide theoretically a significant opportunity for testing.