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...

Full beskrivning

Bibliografiska uppgifter
Huvudupphovsmän: Castiglione, M, Madden, P
Materialtyp: Journal article
Språk:English
Publicerad: 2001