Abstract
The electronic structures of undoped c- and t-ZrO 2 were calculated by a first-principles molecular orbital method. A preliminary analysis revealed that experimental energy-loss near-edge structure profiles obtained in ZrO 2-8 mol% Y 2O 3 could be satisfactorily explained from the present theoretical calculation. The calculation suggests that the stability of t-ZrO 2 could be described by the interaction between neighboring oxygen ions rather than the covalency of Zr-O bonds. The effect of dopant cations on the stability of cubic-zirconia solid solutions can be estimated semiquantitatively in terms of the repulsive Coulomb force between neighboring oxygen ions.
| Original language | English |
|---|---|
| Pages (from-to) | 2557-2561 |
| Number of pages | 5 |
| Journal | Journal of the American Ceramic Society |
| Volume | 85 |
| Issue number | 10 |
| DOIs | |
| Publication status | Published - 2002 Oct 1 |
ASJC Scopus subject areas
- Ceramics and Composites
- Materials Chemistry
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Cite this
Kuwabara, A., Katamura, J., Ikuhara, Y., & Sakuma, T. (2002). Influence of interaction between neighboring oxygen ions on phase stability in cubic zirconia. Journal of the American Ceramic Society, 85(10), 2557-2561. https://doi.org/10.1111/j.1151-2916.2002.tb00495.x