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Pressure stability and low compressibility of intercalated cagelike materials: the case of silicon clathrates

San Miguel, Alfonso and Mélinon, Patrice and Connétable, Damien and Blase, Xavier and Tournus, Florent and Reny, Édouard and Yamanaka, Shoji and Itié, Jean-Paul Pressure stability and low compressibility of intercalated cagelike materials: the case of silicon clathrates. (2002) Physical review B, 65 (5). 054109-1. ISSN 0163-1829

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Official URL: http://dx.doi.org/10.1103/PhysRevB.65.054109


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 Angstrom.

Item Type:Article
Additional Information:Thanks to the American Physical Society editor. This publication is available at http://prb.aps.org/abstract/PRB/v65/i5/e054109
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Commissariat à l'Energie Atomique et aux énergies alternatives - CEA (FRANCE)
French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Other partners > Hiroshima University (JAPAN)
Other partners > Japan Science and Technology Corporation - JST (JAPAN)
Other partners > Université Claude Bernard-Lyon I - UCBL (FRANCE)
Other partners > Ministère de la Jeunesse, de l'Education Nationale et de la Recherche - MENRT (FRANCE)
Other partners > Université Paris-Sud 11 (FRANCE)
Laboratory name:
Deposited On:23 Feb 2012 09:19

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