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 Grüneisen parameter γT(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 298K. Those calculated values of γT(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 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 κT, thermal expansion αP and the specific heat CP-CV of PZT (x=0.48) ceramic were predicted at constant temperature of 298K. Here, the experimentally measurable thermodynamic quantities calculated for PZT (x=0.48) ceramics provide theoretically a significant opportunity for testing.