WEKO3
アイテム
Fluorescence Spectra of Pr3+ Ions in Phosphate Materials Calculated by the DVME Method
http://hdl.handle.net/10132/3419
http://hdl.handle.net/10132/3419fd0c03a4-157f-4f74-a36d-52cf54b71be4
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
kowada_2009_05_14.pdf (140.9 kB)
|
|
| Item type | 学術雑誌論文 / Journal Article(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2010-07-23 | |||||
| タイトル | ||||||
| タイトル | Fluorescence Spectra of Pr3+ Ions in Phosphate Materials Calculated by the DVME Method | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | benchmark calculations | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | molecular structure | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | electric and magnetic properties | |||||
| キーワード | ||||||
| 主題Scheme | Other | |||||
| 主題 | spectroscopic properties | |||||
| 資源タイプ | ||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
| 資源タイプ | journal article | |||||
| 著者 |
Kowada, Y
× Kowada, Y× NOMA, S× Ogasawara, K |
|||||
| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | Recently fluorescence spectra of rare-earth ions in oxide materials are very attractive for the applications of the optical amplification in optical fiber communications and white LED etc. However, it has been difficult to calculate the fluorescence spectra of rare-earth ions by the first principle method. In this study, we used the relativistic discrete-variational multi-electron (DVME) method, which is a configuration-interaction (CI) calculation program using the molecular orbitals obtained by the relativistic DV-Xα method. We applied this method to the calculation of the fluorescence spectrum of the Pr3+ ions in phosphate materials. The transition probability of the fluorescence was calculated in the same manner of the absorption. The obtained theoretical fluorescence spectrum was good agreement with the experimental one, though the intensity of each peak was deeply dependent on the configuration of the surrounding structural units. The results suggested that the DVME method was useful for the calculation of not only absorption but also fluorescence spectra of rare-earth ions in oxide materials. | |||||
| 書誌情報 |
International Journal of Quantum Chemistry 巻 109, 号 12, p. 2753-2757, 発行日 2009-05-06 |
|||||
| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 1097461X | |||||
| DOI | ||||||
| 関連タイプ | isVersionOf | |||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1002/qua.22138 | |||||
| 権利 | ||||||
| 権利情報 | Copyright 2009 Wiley Periodicals, Inc. | |||||
| フォーマット | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | application/pdf | |||||
| 著者版フラグ | ||||||
| 出版タイプ | AM | |||||
| 出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
| 出版者 | ||||||
| 出版者 | Wiley | |||||
| 関係URI | ||||||
| 識別子タイプ | URI | |||||
| 関連識別子 | http://www3.interscience.wiley.com/journal/29830/home | |||||
| 関連名称 | http://www3.interscience.wiley.com/journal/29830/home | |||||
