Structure of AgGeS glasses determined by isotopic substitution neutron scattering and reverse Monte Carlo simulations

Abstract

We have investigated the structure of the superionic, yet semiconducting, glass (Ag2S)0.5(GeS2)0.5 by means of Ag isotopic substitution neutron diffraction experiments performed at ISIS. First differences of the diffraction data enable Ag-based real-space correlations to be identified in the reduced radial distribution function (RDF), G(r). We have also produced a structural model of this ternary glass using the reverse Monte Carlo simulation method, fitting to G(r) for the isotopically substituted samples. The partial correlations were calculated and the structural environment around the Ag ions was studied from this model. © 1993.