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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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)|
|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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