Vibrational properties of As2S3 glass

Vibrational densities of states and infrared and Raman spectra have been calculated for a structural model of As₂S₃ glass. The calculations are based on simple semi-empirical forms for interatomic potentials, electric dipole moment and Raman polarizability. The bands of the calculated spectra agree well with those of the observed infrared and Raman spectra of As₂S₃ glass in intensity and position, although a small concentration of the wrong SS bonds remains in the structural model and causes an additional peak in the higher frequency region. The calculated depolarization ratio of the Raman spectra is consistent with the observed one.