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

Abstract

The isothermal mode Gruneisen parameter gamma(T)(P) of some Raman modes in PbZr1-xTixO3 (PZT, x = 0.48) were calculated as a function of pressure by means of the observed pressure-dependent volume data of PZT (x = 0.48) crystal from the literature at room temperature of 298 K. Those calculated values of gamma(T)(P) were then used to compute the pressure dependence of the Raman modes in PZT (x = 0.48) ceramic studied here. The observed and calculated values of the Raman wavenumbers in PZT were in good agreement, which indicates that the isothermal mode Gruneisen 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 kappa(T), thermal expansion alpha(P) and the specific heat C-P - C-V of PZT (x = 0.48) ceramic were predicted at constant temperature of 298 K. Here, the experimentally measurable thermodynamic quantities calculated for PZT (x = 0.48) ceramics provide theoretically a significant opportunity for testing.