Ab initio molecular dynamics with a classical pressure reservoir: Simulation of pressure-induced amorphization in a Si35H36 cluster

Physical Review Letters

Volumn 84, Issue 4, 2000, Pages 682-685

  Martonak R ^a,b   Molteni, C ^a,c   Parrinello, M ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^c UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0346487364     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.84.682     Document Type: Article

References (27)

1. M. Gross and R. Jaenicke; Eur. J. Biochem. 221, 617 (1994)
2. V. V. Mozhaev; Proteins 24, 81 (1996)
3. F. Gardrat; Eur. J. Biochem. 262, 900 (1999).
4. S. H. Tolbert and A. P. Alivisatos; Z. Phys. D 26, 56 (1993)
5. S. H. Tolbert and A. P. Alivisatos; J. Chem. Phys. 102, 4642 (1995)
6. S. H. Tolbert and A. P. Alivisatos; Science 265, 373 (1994)
7. S. H. Tolbert and A. P. Alivisatos; Annu. Rev. Phys. Chem. 46, 595 (1995)
8. S. H. Tolbert; Phys. Rev. Lett. 76, 4384 (1996).
9. M. Parrinello and A. Rahman; J. Chem. Phys. 76, 2662 (1982).
10. R. Car and M. Parrinello; Phys. Rev. Lett. 55, 2471 (1985).
11. P. Focher; Europhys. Lett. 26, 345 (1994)
12. S. Scandolo; Phys. Rev. Lett. 74, 4015 (1995)
13. S. Serra; Phys. Rev. Lett. 80, 5160 (1998)
14. C. Cavazzoni; Science 283, 44 (1999).
15. J. P. Hansen and I. R. MacDonald; Theory of Simple Liquids (Academic Press, New York, 1986).
16. R. W. Hockney; Methods Comput. Phys. 9, 136 (1970)
17. J. W. Eastwood and D. R. K. Brownrigg; J. Comput. Phys. 32, 24 (1979)
18. R. N. Barnett and U. Landman; Phys. Rev. B 48, 2081 (1993).
19. W. G. Hoover; J. Chem. Phys. 52, 4931 (1970).
20. C.-C. Chen; Science 276, 398 (1997).
21. N. Marzari and D. Vanderbilt; Phys. Rev. B 56, 12 847 (1997).
22. S. F. Boys; Quantum Theory of Atoms, Molecules, and the Solid State, P.-O. Löwdin (Academic Press, New York, 1966), p. 253.
23. P. L. Silvestrelli; Solid State Commun. 107, 7 (1998).
24. H. Grubmüller; Phys. Rev. E 52, 2893 (1995).
25. A. F. Voter; J. Chem. Phys. 106, 4665 (1997)
26. A. F. Voter; Phys. Rev. Lett. 78, 3908 (1997).
27. C. Z. Wang and K. M. Ho; Adv. Chem. Phys. XCIII, 651 (1996).