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Ion mobility in alpha-PbF2: a computer simulation study

Abstract:

Computer simulation studies of the F--ion motion in pure and KF-doped α-PbF2 are described. The aliovalent doping introduces vacancies into the crystal lattice which promote a significant degree of ionic motion, as witnessed by nuclear magnetic resonance and conductivity measurements. The simulations, using polarizable ionic potentials that have already been shown to reproduce the properties of the superionic conducting β-phase of PbF2, give results which are consistent with these experimenta...

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Publication status:
Published

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Publisher copy:
10.1088/0953-8984/13/1/306

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Role:
Author
Publisher:
IOP
Journal:
JOURNAL OF PHYSICS-CONDENSED MATTER More from this journal
Volume:
13
Issue:
1
Pages:
51-66
Publication date:
2001-01-08
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
Language:
English
Pubs id:
pubs:60140
UUID:
uuid:aa3ffe02-8aeb-4b43-af0b-ed0826dbc112
Local pid:
pubs:60140
Source identifiers:
60140
Deposit date:
2012-12-19

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