Raman Frequencies Calculated at Various Pressures in Phase I of Benzene

다국어 초록 (Multilingual Abstract)

We calculate in this study the pressure dependence of the frequencies for the Raman modes of A ($A_g$), B ($A_g$, $B_{2g}$) and C ($B_{1g}$, $B_{3g}$) at constant temperatures of 274 and 294K (room temperature) for the solid phase I of benzene. Using the mode Gr$\ddot{u}$neisen parameter of each lattice mode, which correlates the pressure dependence of the crystal volume and the frequency, the Raman frequencies of those modes are computed for phase I of benzene. Our results show that the Raman frequencies of the three lattice modes (A, B and C) increase as the pressure increases, as expected. The temperature effect on the Raman frequencies is not significant, which can be explained by the experimental measurements.