Abstract

Superionicity in the antifluorite alkaline oxides and sulfides, such as Li 2O, has been studied by molecular dynamics, together with similar studies of superionicity in mixed oxygen/sulfur antifluorites and in mixed fluorites. In all cases, we find transitions to superionic phases in which the anions (O 2−, S 2−) maintain their regular lattice positions while the smaller cations (e.g., Li +) flow through them.

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