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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). -. doi:10.1103/PhysRevB.65.224109 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 | ||||
| Official Date: | 1 June 2002 | ||||
| Dates: |
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| Volume: | 65 | ||||
| Number: | 22 | ||||
| Number of Pages: | 9 | ||||
| Page Range: | - | ||||
| DOI: | 10.1103/PhysRevB.65.224109 | ||||
| Publication Status: | Published |
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