Chadwick, A.V. and Kennedy, K.M. and Morrison, G. (1997) EXAFS and computer simulation studies of strontium doped lanthanum oxide. In: Discussion Meeting on Solute Point Defect Interactions in Crystals, April 7-9, 1997, Lower Saxony, Germany.
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Abstract
Atomistic computer modelling and Extended X-ray Absorption Fine Structure (EXAFS) measurements were used to study the mode of solution and defects in Sr2+-doped La2O3. The computer modelling indicates that the most energetically favourable mode of solution is cation substitution with the formation of charge-compensating anion vacancies. This is confirmed by the EXAFS measurements. The EXAFS results also indicate that at high levels of Sr2+ there is the formation of the defect clusters with impurities and anion vacancies on adjacent sites, although the precise structure of the clusters could not be unambiguously identified.
| Item Type: | Conference or workshop item (Paper) |
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| Uncontrolled keywords: | computer experiments; diffusion; materials properties; spectroscopy, X-ray; transport properties |
| Depositing User: | T. Nasir |
| Date Deposited: | 27 Oct 2009 18:44 |
| Last Modified: | 27 Oct 2009 18:44 |
| Resource URI: | http://kar.kent.ac.uk/id/eprint/18342 (The current URI for this page, for reference purposes) |
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