Ionic Motion inα-AgI

Abstract
A molecular-dynamcis study of silver diffusion in superionic conductor α-AgI is performed. Interionic potentials are constructed using Pauling's ideas of ionic radii. The diffusion constant for silver and its temperature dependence are in good agreement with experiment. Good agreement is also obtained for the silver density map with the experiment of Cava, Reidinger, and Wuensch.