Pressure stability and low compressibility of intercalated cagelike materials : The case of silicon clathrates
Physical Review B - Condensed Matter and Materials Physics Volume 65 Issue 5
Page 054109-
published_at 2002-02-01
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| File | |
| Title ( eng ) |
Pressure stability and low compressibility of intercalated cagelike materials : The case of silicon clathrates
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| Creator |
San-Miguel A.
Mélinon P.
Connétable D.
Blase X.
Tournus F.
Reny E.
Itié J. P.
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| Source Title |
Physical Review B - Condensed Matter and Materials Physics
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| Volume | 65 |
| Issue | 5 |
| Start Page | 054109 |
| Abstract |
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 |
Physics [ 420 ]
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| Language |
eng
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| Resource Type | journal article |
| Publisher |
American Physical Society
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| Date of Issued | 2002-02-01 |
| Rights |
Copyright (c) 2002 American Physical Society
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| Publish Type | Version of Record |
| Access Rights | open access |
| Source Identifier |
[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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