Electron energy-loss near-edge shape as a probe to investigate the stabilization of yttria-stabilized zirconia
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 1098-0121Full text not available from this repository.
Official URL: http://dx.doi.org/10.1103/PhysRevB.65.224109
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|
|Date:||1 June 2002|
|Number of Pages:||9|
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