Abstract
Abstract We present the results of a molecular dynamics study of CaF2(10 mol % LaF3). No diffusion of fluorine ions is observed in pure CaF2 below the transition temperature (TC ≈ 1460K) to the fast-ion phase. However, doping with La3+ ions promotes fluorine ion diffusion in this temperature range, and tends to suppress it above TC. Various ion migration mechanisms are discussed.
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