Ionic Diffusion Phenomena in Superionic Conductors

摘要: A molecular dynamics method has been applied in a study of silver diffusion superionic conductor Ag2Te for several temperatures with use effective interionic potentials. The static and dynamical structures are calculated. density distribution ions also obtained it suggested that Ag ion, located at tetrahedral site most the time, moves to neighboring via vicinity an octahedral site. activation energy ionic from Arrhenius plotting self-diffusion coefficient Ag. To give explanation Haven’s ratio by calculation, theory caterpillar mechanism proposed Yokota used. It considered occupy sites different probability. shown frequency single jump cooperative jumps increases increasing temperature.