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Crystal-liquid phase relations in silicon at negative pressure.

Abstract:

The stable and metastable melting relations for silicon in the diamond and Si136 clathrate-II structures at positive and negative pressures are calculated by molecular dynamics computer simulation. The simulated liquid and crystalline clathrates undergo cavitation at approximately -3 and -12 GPa. Between these limits a stretched crystal would transform directly to gas in response to a mechanical instability. Most importantly, the clathrate-II crystal becomes thermodynamically stable over the ...

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Publication status:
Published

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
Physical Review Letters More from this journal
Volume:
90
Issue:
13
Pages:
135703
Publication date:
2003-04-01
DOI:
EISSN:
1079-7114
ISSN:
0031-9007
Language:
English
Pubs id:
pubs:60127
UUID:
uuid:1d4c7f68-ea7d-480e-aefe-c0702932a351
Local pid:
pubs:60127
Source identifiers:
60127
Deposit date:
2012-12-19

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