Hostname: page-component-54dcc4c588-b5cpw Total loading time: 0 Render date: 2025-10-12T06:30:34.006Z Has data issue: false hasContentIssue false
  • English
  • Français

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
Get access

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.

Information

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

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

Article purchase

Temporarily unavailable

References

1. Howard, C. J., Hill, R. J. and Reichert, B.E., Acta Cryst. B44, 116 (1988)Google Scholar
2. Subbarao, E.C., in Science and Technology of Zirconia, edited by Heuer, A. H. and Hobbs, L.W., Advances in Ceramics, Vol 3 (American Ceramic Society, Ohio, 1981)Google Scholar
3. Goff, J.P., Hayes, W, Hull, S., Hitchings, M.T. and Clausen, K. N., Phys. Rev. B 59 14202 (1999)Google Scholar
4. Egerton, R. F., “Electron Energy-Loss Spectroscopy in the Electron Microscope” 2nd edition (Plenum, New York, 1996)Google Scholar
5. Vlachos, D., Craven, A. J. and McComb, D. W., J. Sync. Rad. (2001) (submitted)Google Scholar
6. Vlachos, D., Craven, A. J. and McComb, D. W., J Phys. Cond. Matter 13, 10799 (2001)Google Scholar
7. Alavi, A., Kohanoff, J., Parrinello, M. and Frenkel, D., Phys. Rev. Lett. 73, 2599 (1994)Google Scholar
8. Finnis, M.W., Paxton, A.T., Methfessel, M. and Schilfgaarde, M. van., Phys. Rev. Lett. 81, 5149 (1998)Google Scholar
9. Ostanin, S., McComb, D. W., Craven, A., Vlachos, D., Alavi, A., Finnis, M. W. and Paxton, A. T., Phys. Rev. B 62, 14728 (2000)Google Scholar
10. Ostanin, S., McComb, D. W., Craven, A., Vlachos, D., Alavi, A., Finnis, M. W. and Paxton, A. T. Phys. Rev. B (2001) (submitted)Google Scholar