Solid State Ionics, Vol.122, No.1-4, 123-126, 1999
Study of superionic transition by microscopic description
The microscopical mechanism of superionic transition is investigated. The proximity of p-halogen and d-metal electronic levels is proved to be a critical prerequisite to the formation of a local additional minimum of crystalline potential. The coordination number change involved in the transition is regarded as a redistribution of ionic occupancies, making this additional minimum absolute.