Effect of preparation conditions on the structure of As-Se glasses: Reverse Monte Carlo simulation

Abstract

As an extension to part I, Dongol and Elhady (2020), the method of Reverse Monte Carlo simulation has been used to examine the effect of quenching rate on the structure of glassy AsxSe100−x (x=20, 30, 40, 50 at%). Results of the partial structure factors indicate that the correlations responsible for medium range order depend strongly on As-content, and distortion occurs in this structure range with increasing quenching rate. This distortion is more predominant in case of As50Se50 glass. Results of partial pair distribution function show that, most of short range order is mainly governed by the chemically ordered network model, and the random covalent network model plays a relatively small role. Also, it was clarified that the percentage of homopolar bonds increases with increasing quenching rate. In case of x=50at.%, the tendency of As segregation and formation of As–As bonds is demonstrated. Some Deviation from “8-N” rule was observed in the structure of the investigated glasses.