Calculation of the Raman frequency shifts for the ? phase of solid oxygen

Abstract

We calculate in this study the Raman frequencies of the two librons and one vibron at various pressures at constant temperatures of 10 K and also at the temperatures of 6 and 18 K by using the volume data from the literature through the mode Grüneisen parameter for the ? phase of oxygen. The Raman frequency shifts calculated for the pressure-induced librons and vibron, agree with the experimental frequency shifts in most cases, in particular at low pressures for ?-O2. This shows that the Raman frequency shifts can be calculated adequately from the volume by means of the mode Grüneisen parameter using the method given here for the ?-phase of oxygen or more generally for molecular solids.