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The use of XANES and ELNES for the Characterisation of Stabilised Zirconia

Published online by Cambridge University Press:  17 March 2011

David W. McComb ,
Sergei Ostanin ,
Dimitris Vlachos ,
Alan J. Craven ,
Michael W. Finnis ,
Anthony T. Paxton  and
Ali Alavi
David W. McComb
Affiliation:
Department of Chemistry, University of Glasgow, Glasgow G12 8QQ, UK
Sergei Ostanin
Affiliation:
Department of Chemistry, University of Glasgow, Glasgow G12 8QQ, UK Department of Physics and Astronomy, University of Glasgow, Glasgow G12 8QQ, UK
Dimitris Vlachos
Affiliation:
Department of Chemistry, University of Glasgow, Glasgow G12 8QQ, UK Department of Physics and Astronomy, University of Glasgow, Glasgow G12 8QQ, UK
Alan J. Craven
Affiliation:
Department of Physics and Astronomy, University of Glasgow, Glasgow G12 8QQ, UK
Michael W. Finnis
Affiliation:
Department of Physics, Queen's University, Belfast, UK
Anthony T. Paxton
Affiliation:
Department of Physics, Queen's University, Belfast, UK
Ali Alavi
Affiliation:
Department of Chemistry, University of Cambridge, Cambridge, UK
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Abstract

The electron energy-loss near-edge structure (ELNES) and x-ray absorption near-edge structure (XANES) at the oxygen K-edge has been investigated in a range of yttria-stabilised zirconia (YSZ) materials. Analysis of near-edge structure reveals that both the crystallographic phase and the metal fraction of yttrium present can be determined directly from the oxygen K-edge data. Simulation of the ELNES/XANES was achieved using a pseudopotential based method to obtain the relaxed atomic coordinates combined with full-potential LMTO method to calculate the electronic structure.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 699: Symposium R – Electrically Based Microstructural Characterization III , 2001 , R8.2
Copyright
Copyright © Materials Research Society 2002

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