Pressure stability and low compressibility of intercalated cagelike materials : The case of silicon clathrates
Physical Review B - Condensed Matter and Materials Physics 65 巻 5 号
054109- 頁
2002-02-01 発行
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| ファイル情報(添付) | |
| タイトル ( eng ) |
Pressure stability and low compressibility of intercalated cagelike materials : The case of silicon clathrates
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| 作成者 |
San-Miguel A.
Mélinon P.
Connétable D.
Blase X.
Tournus F.
Reny E.
Itié J. P.
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| 収録物名 |
Physical Review B - Condensed Matter and Materials Physics
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| 巻 | 65 |
| 号 | 5 |
| 開始ページ | 054109 |
| 抄録 |
We study the behavior under pressure (up to 35 GPa) of intercalated silicon clathrates, combining x-ray diffraction experiments and ab initio calculations. We show that endohedral doping does not introduce a strong modification of the compressibility of the empty clathrate network and that in particular cases can raise it to values equivalent to the one of the silicon diamond phase. Intercalation can also prevent the collapse of the cage structure up to pressures at least 3 times higher than in the empty clathrate. Further we find that the stability of all studied silicon clathrate networks as well as stressed silicon diamond is limited to average Si-Si interatomic distances higher than 2.30 Å.
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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 | 2002-02-01 |
| 権利情報 |
Copyright (c) 2002 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.65.054109
[DOI] http://dx.doi.org/10.1103/PhysRevB.65.054109
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