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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

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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:
DateEvent
1 June 2002UNSPECIFIED
Volume: 65
Number: 22
Number of Pages: 9
Page Range: -
DOI: 10.1103/PhysRevB.65.224109
Publication Status: Published

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