Reverse Monte Carlo modeling of the neutron and X-ray diffraction data for new chalcogenide Ge–Sb–S(Se)–Te glasses Review Article

New quaternary chalcogenide GexSb40−xS50Te10 and GexSb40−xSe50Te10 (x=20 and 27 at%) glasses have been synthesized and studied by neutron and high-energy X-ray diffraction. Both the traditional Fourier transformation technique and the Reverse Monte Carlo (RMC) modeling of the experimental data have been applied to model the 3-dimensional atomic configurations. From the analysis of the partial atomic correlation functions and structure factors the first and second neighbor distances, coordination numbers and bond-angle distributions are calculated. The influence of S(Se) content on the atomic environment in the glassy structure is considered and discussed in a function of glass composition. In addition, the packing density, average atomic volume and compactness for each composition are determined.