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| ファイル | 記述 | サイズ | フォーマット | |
|---|---|---|---|---|
| 1.3663543.pdf | 757.28 kB | Adobe PDF | 見る/開く |
| タイトル: | Ab-initio multiplet calculation of oxygen vacancy effect on Ti-L-2,L-3 electron energy loss near edge structures of BaTiO3 |
| 著者: | Ootsuki, S. Ikeno, H. Umeda, Y. Moriwake, H. Kuwabara, A. Kido, O. Ueda, S. Tanaka, I.    https://orcid.org/0000-0002-4616-118X (unconfirmed)Fujikawa, Y. Mizoguchi, T. |
| キーワード: | ab initio calculations barium compounds electron energy loss spectra vacancies (crystal) |
| 発行日: | Dec-2011 |
| 出版者: | American Institute of Physics |
| 誌名: | APPLIED PHYSICS LETTERS |
| 巻: | 99 |
| 号: | 23 |
| 論文番号: | 233109 |
| 抄録: | The effect of oxygen vacancy on Ti-L_[2, 3] electron energy-loss near-edge structures (ELNES) of BaTiO_3 was theoretically investigated through ab initio multiplet calculation. The presence of an oxygen vacancy influences spectral features not only at the nearest neighbor Ti site but also at Ti sites further from the oxygen vacancy. The effects of different oxygen vacancy concentrations were also investigated. Based on this study, it was concluded that the detection limit for oxygen vacancy with Ti-L_[2, 3] ELNES is approximately 1%. |
| 著作権等: | Copyright 2011 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in APPLIED PHYSICS LETTERS 99, 233109 (2011) and may be found at http://link.aip.org/link/?apl/99/233109 |
| URI: | http://hdl.handle.net/2433/160633 |
| DOI(出版社版): | 10.1063/1.3663543 |
| 関連リンク: | http://link.aip.org/link/?apl/99/233109 |
| 出現コレクション: | 学術雑誌掲載論文等 |
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