A combined computer simulation and EXAFS study of dopant clustering in lanthanum oxide

Chadwick, A.V. and Morrison, G. and Rafiuddin, R. (1995) A combined computer simulation and EXAFS study of dopant clustering in lanthanum oxide. In: 7th Europhysical Conference on Defects in Insulating Materials (Eurodim 94), Lyon, France. (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 in a study of the mode of solution of Sr2+ ions in La2O3. The results are in agreement with previous modelling studies which show that the most favourable mode of solution is cation substitution with anion vacancy charge compensation. The energy of solution was found to be 1.3 eV. The Sr K-edge EXAFS results for 10 and 20 mole percent Sr2+ doped La2O3 were consistent with cation substitution. For both doped samples the EXAFS indicate the presence of a defect cluster containing 2Sr(La), ions adjacent to a V-O(-).

Item Type: Conference or workshop item (Other)
Uncontrolled keywords: lanthanum oxide; computer modelling; EXAFS; dopant clusters
Subjects: Q Science > Q Science (General)
Divisions: Faculties > Science Technology and Medical Studies > School of Engineering and Digital Arts
Depositing User: P. Ogbuji
Date Deposited: 06 Jun 2009 16:06
Last Modified: 08 May 2012 13:06
Resource URI: http://kar.kent.ac.uk/id/eprint/19752 (The current URI for this page, for reference purposes)
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