Ionic motion in superionic Ag2S

Abstract
A model of the superionic conductor Ag2S is proposed and studies by the molecular dynamics technique using effective pair potentials. The self-diffusion for silver, DAg(T), is in good agreement with experiment. The Ag density map and its temperature dependence is calculated. The authors also calculate the X-ray and neutron structure factors which explain the anomalous intensity at Q=(1.6, 1, 0) observed by Cava and McWhan (1980).