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The defect structure of anion excess CaF2 |
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| Authors: | C.R.A. Catlow A.V. Chadwick J. Corish |
| Affiliation: | Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, England;University Chemical Laboratory, University of Kent, Canterbury, Kent CT2 7NH, England;Chemistry Department, University College, Dublin 4, Ireland |
| Abstract: | Neutron scattering and computer simulation techniques have been used to investigate the defect cluster structure of CaF2 doped with 5% La3?. The results strongly support the formation of small discrete clusters rather than the superstructures that have been suggested in recent studies of anion excess fluorites. The type of cluster that emerges as dominant comprises an interstitial-dopant dimer (of the 2:2:2 type) which has captured an additional F? interstitial. The formation of such clusters is supported by recent ITC studies. |
| Keywords: | To whom correspondence should be addressed. |
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