Abstract
A molecular-dynamics method is applied in a study of silver diffusion in superionic conductor ${\mathrm{Ag}}_{2}$Te for several temperatures with use of effective pairwise potentials. The static and dynamical structures are calculated. The density distribution map of silver ions suggests that a Ag ion, located at a tetrahedral site for most of the time, moves to a neighboring tetrahedral site via the vicinity of an octahedral site---a result which is consistent with the explanation of Haven's ratio proposed by Okazaki. The activation energy for a ionic diffusion also is obtained from the Arrhenius plotting of the self-diffusion coefficient of ${\mathrm{Ag}}^{+}$.
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