Investigation of nanophase separation in glassy As40Se60 using Raman scattering and ab initio calculations

Abstract

Raman spectra of stoichiometric glass (g) g-As40Se60 have been investigated. It was observed that the increasing of excitation radiation energy h >E0 (E0 is pseudogap width) changes the shape and position of Raman peaks of g-As40Se60. The structure and vibration spectra of some As-Se clusters were calculated applying Hartree-Fock (HF) and density functional theory (DFT). In order to elucidate structural features of g-As40Se60, we combined the experimental Raman data and theoretical calculations.