Ultrahigh-pressure phases of H 2O ice predicted using an adaptive genetic algorithm

Physical Review B - Condensed Matter and Materials Physics

Volumn 84, Issue 22, 2011, Pages

  Ji, Min ^a   Umemoto, Koichiro ^b   Wang, Cai Zhuang ^a   Ho, Kai Ming ^a   Wentzcovitch, Renata M ^c  

^a IOWA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF MINNESOTA   (United States)

^c University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84855312566     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.84.220105     Document Type: Article

References (37)

1. V. F. Petrenko and R. W. Whitworth, Physics of Ice (Oxford University Press, Oxford, UK, 1999).
2. C. Lobban, J. L. Finney, and W. F. Kuhs, Nature (London) NATUAS 0028-0836 10.1038/34622 391, 268 (1998) (Pubitemid 28099009)
3. C. G. Salzmann, P. G. Radaelli, A. Hallbrucker, E. Mayer, and J. L. Finney, Science SCIEAS 0036-8075 10.1126/science.1123896 311, 1758 (2006).
4. C. G. Salzmann, P. G. Radaelli, E. Mayer, and J. L. Finney, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.105701 103, 105701 (2009).
5. T. Guillot, Phys. Today PHTOAD 0031-9228 10.1063/1.1752424 57 (4), 63 (2004).
6. P. Butler, S. S. Vogt, G. W. Marcy, D. A. Fischer, J. T. Wright, G. W. Henry, G. Laughlin, and J. Lissauer, Astrophys. J. AJLEEY 0004-637X 10.1086/425173 617, 580 (2004). (Pubitemid 40076629)
7. J. J. Lissauer, Nature (London) NATUAS 0028-0836 10.1038/nature09760 470, 53 (2011).
8. M. Benoit, M. Bernasconi, P. Focher, and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76.2934 76, 2934 (1996).
9. R. Caracas, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101. 085502 101, 085502 (2008).
10. B. Militzer and H. F. Wilson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.195701 105, 195701 (2010).
11. D. M. Deaven and K. M. Ho, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.75.288 75, 288 (1995).
12. A. R. Oganov and C. W. Glass, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2210932 124, 244704 (2006). (Pubitemid 43993036)
13. G. Trimarchi and A. Zunger, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/20/29/295212 20, 295212 (2008).
14. M. Ji, C.-Z. Wang, and K.-M. Ho, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/c004096g 12, 11617 (2010).
15. S. Wu, K. Umemoto, M. Ji, C. Z. Wang, K. M. Ho, and R. M. Wentzcovitch, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.184102 83, 184102 (2011).
16. G. Gao, A. R. Oganov, H. Wang, P. Li, Y. Ma, T. Cui, and G. Zou, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3488102 133, 144508 (2010).
17. P. Brommer and F. Gähler, Philos. Mag. JCPSA6 1478-6435 10.1080/14786430500333349 86, 753 (2006). (Pubitemid 43149147)
18. S. Plimpton, J. Comput. Phys. JCTPAH 0021-9991 10.1006/jcph.1995.1039 117, 1 (1995).
19. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996);
20. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396 78, 1396 (1996).
21. D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.41.7892 41, R7892 (1990).
22. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
23. R. M. Wentzcovitch, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.44. 2358 44, 2358 (1991).
24. R. M. Wentzcovitch, J. L. Martins, and G. D. Price, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.70.3947 70, 3947 (1993).
25. P. Giannozzi, S. de Gironcoli, P. Pavone, and S. Baroni, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.43.7231 43, 7231 (1991).
26. S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.515 73, 515 (2001).
27. D. Wallace, Thermodynamics of Crystals (Wiley, New York, 1972).
28. P. Giannozzi, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502 21, 395502 (2009).
29. C. Cavazzoni, G. L. Chiarotti, S. Scandolo, E. Tosatti, M. Bernasconi, and M. Parrinello, Science SCIEAS 0036-8075 10.1126/science.283.5398.44 283, 44 (1999). (Pubitemid 29044839)
30. R. Chau, A. C. Mitchell, H. W. Minich, and W. J. Nellis, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1332079 114, 1361 (2001). (Pubitemid 32137022)
31. N. Goldman, L. E. Fried, I. Feng W. Kuo, and C. J. Mundy, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.217801 94, 217801 (2005). (Pubitemid 41636707)
32. A. F. Goncharov, N. Goldman, L. E. Fried, J. C. Crowhurst, I. Feng W. Kuo, C. J. Mundy, and J. M. Zang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.125508 94, 125508 (2005). (Pubitemid 40620558)
33. T. R. Mattsson and M. P. Desjarlais, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.017801 97, 017801 (2006). (Pubitemid 44024531)
34. E. Schwegler, M. Sharma, F. Gygi, and G. Galli, Proc. Natl. Acad. Sci. USA PNASA6 0027-8424 10.1073/pnas.0808137105 105, 14779 (2008).
35. M. French, T. R. Mattsson, N. Nettelmann, and R. Redmer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.054107 79, 054107 (2009).
36. R. Redmer, T. R. Mattsson, N. Nettelmann, and M. French, Icarus ICRSA5 0019-1035 10.1016/j.icarus.2010.08.008 211, 798 (2011).
37. J. M. McMahon, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.220104 84, 220104 (2011).