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Electron energy-loss near-edge shape as a probe to investigate the stabilization of yttria-stabilized zirconia
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UNSPECIFIED. (2002) Electron energy-loss near-edge shape as a probe to investigate the stabilization of yttria-stabilized zirconia. PHYSICAL REVIEW B, 65 (22). -. ISSN 1098-0121
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Official URL: http://dx.doi.org/10.1103/PhysRevB.65.224109
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.
| Item Type: | Journal Article |
|---|---|
| Subjects: | Q Science > QC Physics |
| Journal or Publication Title: | PHYSICAL REVIEW B |
| Publisher: | AMERICAN PHYSICAL SOC |
| ISSN: | 1098-0121 |
| Date: | 1 June 2002 |
| Volume: | 65 |
| Number: | 22 |
| Number of Pages: | 9 |
| Page Range: | - |
| Identification Number: | 10.1103/PhysRevB.65.224109 |
| Publication Status: | Published |
| URI: | http://wrap.warwick.ac.uk/id/eprint/10738 |
Data sourced from Thomson Reuters' Web of Knowledge
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