Compton scattering study of the silicon clathrate Ba8Si 46 : Experiment and theory
Physical Review B - Condensed Matter and Materials Physics 71 巻 12 号
125125- 頁
2005-03-15 発行
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| ファイル情報(添付) | |
| タイトル ( eng ) |
Compton scattering study of the silicon clathrate Ba8Si 46 : Experiment and theory
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| 作成者 |
Itou M.
Sakurai Y.
Usuda M.
Cros C.
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| 収録物名 |
Physical Review B - Condensed Matter and Materials Physics
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| 巻 | 71 |
| 号 | 12 |
| 開始ページ | 125125 |
| 抄録 |
The Compton profile of the Ba doped silicon clathrate (Ba 8Si46) has been studied using the high-resolution Compton scattering technique. The Compton profile is sensitive to the change of wave functions, and the good agreement between experiment and theory validates a theoretical prediction. A difference Compton profile between the Ba doped and nondoped clathrates (Si136) has been experimentally obtained and compared with that of a first-principles band structure calculation. The experiment and calculation show excellent agreement with respect to the overall shape in the profile. Analyses of partial density of the states (DOS) predict that, by doping Ba atoms into the Si cages, Ba 6s electrons are transferred into Ba 5d orbitals that are strongly hybridized with Si 3p orbitals. The hybridized states form a sharp peak of the DOS in close vicinity of the Fermi level, which plays an important role for the occurrence of superconductivity in Ba 8Si46.
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| NDC分類 |
物理学 [ 420 ]
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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 | 2005-03-15 |
| 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 |
[NCID] AA11187113
[ISSN] 1098-0121
[DOI] 10.1103/PhysRevB.71.125125
[DOI] http://dx.doi.org/10.1103/PhysRevB.71.125125
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