Reverse Monte Carlo simulation for determining the partial structural functions of GeO2 glass from the anomalous X-ray scattering and neutron diffraction data

Abstract

Reverse Monte Carlo (RMC) simulation has been carried out in order to estimate the partial structural functions of Ge-Ge, O-O and Ge-O pairs for GeO2 glass. Three independent interference functions from the ordinary X-ray diffraction, neutron diffraction and anomalous X-ray scattering measurements near Ge K absorption edge were used in the RMC simulation. The present results clearly indicate that the GeO2 glass structure can be described by a continuous random network of corner-shared GeO4 tetrahedral units as detected in the α-quartz type of GeO2 crystal.