Electron energy-loss near-edge shape as a probe to investigate the stabilization of yttria-stabilized zirconia

S. Ostanin, A.J. Craven, D.W. McComb, D. Vlachos, A. Alavi, M.W. Finnis, Anthony Paxton

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57 Citations (Scopus)

Abstract

The electron energy-loss near-edge structure (ELNES) at the O K edge has been studied in yttria-stabilized zirconia (YSZ). The electronic structure of YSZ for compositions between 3 and 15 mol % Y2O3 has been computed using a pseudopotential-based technique to calculate the local relaxations near the O vacancies. The results showed phase transition from the tetragonal to cubic YSZ at 10 mol % of Y2O3, reproducing experimental observations. Using the relaxed defect geometry, calculation of the ELNES was carried out using the full-potential linear muffin-tin orbital method. The results show very good agreement with the experimental O K-edge signal, demonstrating the power of using ELNES to probe the stabilization mechanism in doped metal oxides.
Original languageEnglish
Article number224109
Pages (from-to)224109
Number of pages1
JournalPhysical Review B (Condensed Matter)
Volume65
Issue number22
DOIs
Publication statusPublished - 01 Jun 2002

ASJC Scopus subject areas

  • Condensed Matter Physics

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