Calculation of the specific heat using the Raman frequency shifts for the solid I–II transition in benzene

Abstract

The specific heat CP is calculated as a function of temperature using the observed Raman frequency shifts of the six lattice modes at constant pressures of 0 and 0.1GPa for the solid I–II transition in benzene. This calculation is performed using the volume data through the mode Grüneisen parameter of each lattice mode which we determined as functions of temperature and pressure. The specific heat CP is also calculated as a function of pressure at room temperature using the Raman frequency shifts of those phonon modes studied.The specific heat CP due to the contributions of the six lattice modes, increases with the increasing temperature at constant pressures (P=0 and 0.1GPa) and it decreases with increasing pressure (T=300K), as expected. Our calculated CP values can be compared with the experimental measurements for the solid I–II transition in benzene.