Electronic structures and hydrogen bond network of high-density and very high-density amorphous ices

Journal of Physical Chemistry B

Volumn 109, Issue 42, 2005, Pages 19893-19896

  He, C ^a   Lian, J S ^a   Jiang, Q ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS MATERIALS; BAND STRUCTURE; BOUNDARY CONDITIONS; DENSITY (SPECIFIC GRAVITY); ELECTRONIC STRUCTURE; HYDROGEN BONDS; PRESSURE EFFECTS; PROBABILITY DENSITY FUNCTION;

DENSITY OF STATE (DOS); HIGH-DENSITY AMORPHOUS ICE (HDA); HYDROGEN BOND NETWORKS; INTEGRATION INTENSITY;

ICE;

EID: 27744522790     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0531558     Document Type: Article

References (34)

1. Martonak, R.; Donadio, D.; Parrinello, M. J. Chem. Phys. 2005, 122, 134501.
2. Saitta, M.; Strassle, T.; Rousse, G.; Hamel, G.; Klotz, S.; Nelmes, R. J.; Loveday, J. S. J. Chem. Phys. 2004, 121, 8430.
3. Malcolm, G.; Chris, A. T.; Chris, J. B.; Dennis, D. K. Chem. Phys. Lett. 2004, 397, 335.
4. Martonak, R.; Donadio, D.; Parrinello, M. Phys. Rev. Lett. 2004, 92, 225702.
5. Starr, F. W.; Bellissent-Funel, M. C.; Stanley, H. E. Phys. Rev. B 1999, 60, 1084.
6. Mishima, O.; Calvert, L. D.; Whalley, E. Nature 1984, 370, 393.
7. Mishima, O.; Calvert, L. D.; Whalley, E. Nature 1985, 314, 76.
8. Floriano, M. A.; Handa, Y. P.; Klug, D. D.; Whalley, E. J. Chem. Phys. 1989, 91, 7187.
9. Whalley, E.; Klug, D. D.; Handa, Y. P. Nature 1989, 342, 782.
10. Tse, J. S. J. Chem. Phys. 1992, 96, 5482.
11. Tse, J. S.; Klug, D. D.; Tulk, C. A.; Swainson, I.; Svensson, E. C.; Loong, C. K.; Shpakov, V.; Belosludov, V. R.; Belosludov, R. V.; Kawazoe, Y. Nature 1999, 400, 647.
12. Debenedetti, P. G. Metastable Liquids; Princeton University Press: Princeton, NJ, 1996.
13. Mishima, O.; Stanley, H. E. Nature 1998, 396, 329.
14. Kuhs, W. F.; Finney, J. L.; Vettier, C.; Bliss, D. V. J. Chem. Phys. 1984, 81, 3612.
15. Finney, J. L.; Hallbrucker, A.; Kohl, I.; Soper, A. K.; Bowron, D. T. Phys. Rev. Lett. 2002, 88, 225503.
16. Finney, J. L.; Bowron, D. T.; Soper, A. K.; Loerting, T.; Mayer, E.; Hallbrucker, A. Phys. Rev. Lett. 2002, 89, 205503.
17. Tulk, C. A.; Benmore, C. J.; Urquidi, J.; Klug, D. D.; Neuefind, J.; Tomberli, B.; Egelstaff, P. A. Science 2002, 297, 1320.
18. Koza, M. M.; Schober, H.; Fischer, H. E.; Hansen, T.; Fujara, F. J. Phys.: Condens. Matter 2003, 15, 321.
19. Lynden-Bell, R. M.; Debenedetti, P. G. J. Phys. Chem. B 2005, 109, 6527.
20. Nagy, P. I.; Erhardt, W. J. Phys. Chem. B 2005, 109, 5855.
21. Starr, F. W.; Sciortino, F.; Stanley, H. E. Phys. Rev. E 1999, 60, 6757.
22. Giovambattista, N.; Stanley, H. E.; Sciortino, F. Phys. Rev. Lett. 2003, 91, 115504.
23. Chatterjee, A.; Ebina, T.; Mizukami, F. J. Phys. Chem. B 2005, 109, 7306.
24. Simon, C.; Klein, M. L. ChemPhysChem 2005, 6, 148.
25. Yamada, M.; Stanley, H. E.; Sciortino, F. Phys. Rev. E 2003, 67, 10202.
26. Hale, B. N.; DiMattio, D. J. J. Phys. Chem. B 2004, 108, 19780.
27. McBride, C.; Vega, C.; Sanz, E.; Abascal, J. L. F. J. Chem. Phys. 2004, 121, 11907.
28. Payne, M. C.; Teter, M. P.; Allan, D. C.; Arias, T. A.; Joannopoulos, J. D. Rev. Mod. Phys. 1992, 64, 1045.
29. Loerting, T.; Salzmann, C.; Kohl, I.; Mayer, E.; Hallbrucker, A. Phys. Chem. Chem. Phys. 2001, 3, 5355.
30. Parrinello, M.; Rahman, A. Phys. Rev. Lett. 1980, 45, 1196.
31. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684.
32. Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577.
33. Mishima, O. Nature 1996, 354, 546.
34. Bizid, A.; Bosio, L.; Defrain, A.; Oumezzine, M. J. Chem. Phys. 1987, 87, 2225.