Fluoride ion disorder and clustering in superionic PbF2

Computer simulations of the β-phase of PbF2 using a polarizable ion interaction potential are described. Studies of KF- and YF3-doped PbF2, as well as the pure material are included. The simulations reproduce the macroscopic observables associated with the transition to superionic behaviour well, in...

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Bibliographic Details
Main Authors: Castiglione, M, Madden, P
Format: Journal article
Language:English
Published: 2001