Journal article
Crystal-liquid interfaces and phase relations in stable and metastable silicon at positive and negative pressure
- Abstract:
-
The phase diagram of pure silicon is investigated by molecular-dynamics computer simulation. The liquid/crystal coexistence curves are determined at both positive and negative pressures for the type I and II clathrates as well as for the diamond (Si-I) structure. Both clathrates are predicted to be thermodynamically stable relative to Si-I in the negative pressure regime. The structure of each of the respective liquid/crystal interfaces is investigated in terms of the atom environments. The c...
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- Publication status:
- Published
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- Publisher copy:
- 10.1103/PhysRevB.82.214101
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Authors
Bibliographic Details
- Journal:
- Physical Review B
- Volume:
- 82
- Issue:
- 21
- Publication date:
- 2010-12-01
- DOI:
- EISSN:
-
1550-235X
- ISSN:
-
1098-0121
- Source identifiers:
-
120332
Item Description
- Language:
- English
- Pubs id:
-
pubs:120332
- UUID:
-
uuid:37bd48b0-6478-4c1e-a196-024d94db7858
- Local pid:
- pubs:120332
- Deposit date:
- 2012-12-19
Terms of use
- Copyright date:
- 2010
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