Electronic structure and vibrational properties of Ba8Si46,Ba8AgnSi46-n, and Ba8AunSi46-n
Physical Review B - Condensed Matter and Materials Physics 72 巻 15 号
155441-1-155441-9 頁
2005-10-28 発行
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| ファイル情報(添付) | |
| タイトル ( eng ) |
Electronic structure and vibrational properties of Ba8Si46,Ba8AgnSi46-n, and Ba8AunSi46-n
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| 作成者 |
Tse John S.
Iitaka Toshiaki
Kume Tetsuji
Shimizu Hiroyasu
Parlinski K.
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| 収録物名 |
Physical Review B - Condensed Matter and Materials Physics
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| 巻 | 72 |
| 号 | 15 |
| 開始ページ | 155441-1 |
| 終了ページ | 155441-9 |
| 抄録 |
The electronic and vibrational structures of Ba8Si46 and Ba8MnSi46-n, where some of the framework Si were replaced by metal (M=Ag or Au) have been studied. Theoretical calculations show that the nature of chemical bonding of the substituted clathrates and their vibrational properties are fundamentally different from Ba8Si46. Low-frequency vibrations associated with the motions of Ba in the large cages and the framework metals have been identified from their Raman spectra. A surprisingly large contribution of the low-frequency modes, particularly those which arise from the Ba vibrations in the large cages, to the electron-phonon coupling parameter in Ba8Si46 was found.
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| 言語 |
英語
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| 資源タイプ | 学術雑誌論文 |
| 出版者 |
American Physical Society
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| 発行日 | 2005-10-28 |
| 権利情報 |
Copyright (c) 2005 American Physical Society.
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| 出版タイプ | Version of Record（出版社版。早期公開を含む） |
| アクセス権 | オープンアクセス |
| 収録物識別子 |
[ISSN] 0163-1829
[DOI] 10.1103/PhysRevB.72.155441
[NCID] AA11187113
[DOI] http://dx.doi.org/10.1103/PhysRevB.72.155441
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