Structure of AgI-AsSe Glasses by Raman Scattering and Ab Initio Calculations

We report a structure investigation of (AsSe)100−x(AgI)x bulk glasses using Raman spectroscopy and ab initio calculations. Raman spectra recorded at off-resonance conditions indicate appreciable structural changes caused by the incorporation of AgI into the base glass structure. Ab-initio and density functional theory calculations were employed to study the geometric and vibrational properties of molecular units that are parts of the glass structure.