Structure study of chalcogenide glasses from high Q-range neutron diffraction experiment and RMC modelling

Abstract

A neutron diffraction structure study has been performed on newly synthesized Ge20As20Se50Te10 and Ge27As13Se50Te10 chalcogenide glasses. Oscillations in the structure factor, S(Q) have been measured with good sign-to-noise up to 35 Å−1. The reverse Monte Carlo simulation was used to model the 3-dimensional atomic configuration. The partial atomic correlation functions and structure factors have been revealed. Several first and second neighbour distances, and coordination numbers have been calculated. We have established that several first neighbour atomic distances are overlapping at two characteristic distances, namely the Ge-Ge, Ge-Se and As-Se are centred at 2.42 Å, while the Ge-Te, As-Te and Se-Te are centred at 2.60 Å.