EXAFS and computer simulation studies of strontium doped lanthanum oxide

Chadwick, Alan 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. (The full text of this publication is not available from this repository)

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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)
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: 14 May 2014 11:14
Resource URI: http://kar.kent.ac.uk/id/eprint/18342 (The current URI for this page, for reference purposes)
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