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 language | English |
|---|---|
| Article number | 224109 |
| Pages (from-to) | 224109 |
| Number of pages | 1 |
| Journal | Physical Review B (Condensed Matter) |
| Volume | 65 |
| Issue number | 22 |
| DOIs | |
| Publication status | Published - 01 Jun 2002 |
ASJC Scopus subject areas
- Condensed Matter Physics
Fingerprint
Dive into the research topics of 'Electron energy-loss near-edge shape as a probe to investigate the stabilization of yttria-stabilized zirconia'. Together they form a unique fingerprint.Cite this
- APA
- Author
- BIBTEX
- Harvard
- Standard
- RIS
- Vancouver