Compression of H2 O ice to 126 GPa and implications for hydrogen-bond symmetrization: Synchrotron x-ray diffraction measurements and density-functional calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 77, Issue 21, 2008, Pages

  Sugimura, Emiko ^a   Iitaka, Toshiaki ^b   Hirose, Kei ^a,c   Kawamura, Katsuyuki ^a   Sata, Nagayoshi ^c   Ohishi, Yasuo ^d  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b RIKEN   (Japan)

^c JAPAN AGENCY FOR MARINE EARTH SCIENCE AND TECHNOLOGY   (Japan)

^d JAPAN SYNCHROTRON RADIATION RESEARCH INSTITUTE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 45249109721     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.77.214103     Document Type: Article

References (27)

1. R. J. Hemley, A. P. Jephcoat, H. K. Mao, C. S. Zha, L. W. Finger, and D. E. Cox, Nature (London) NATUAS 0028-0836 10.1038/330737a0 330, 737 (1987).
2. E. Wolanin, P. Pruzan, J. C. Chervin, B. Canny, M. Gauthier, D. Hausermann, and M. Hanfland, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56. 5781 56, 5781 (1997).
3. P. Loubeyre, R. LeToullec, E. Wolanin, M. Hanfland, and D. Hausermann, Nature (London) NATUAS 0028-0836 10.1038/17300 397, 503 (1999).
4. B. Kamb and B. L. Davis, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 10.1073/pnas.52.6.1433 52, 1433 (1964).
5. W. B. Holzapfel, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1677221 56, 712 (1972).
6. M. Benoit, D. Marx, and M. Parrinello, Nature (London) NATUAS 0028-0836 10.1038/32609 392, 258 (1998).
7. M. Benoit, A. H. Romero, and D. Marx, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.145501 89, 145501 (2002).
8. M. Benoit and D. Marx, ChemPhysChem CPCHFT 1439-4235 10.1002/cphc. 200400533 6, 1738 (2005).
9. M. Song, H. Yamawaki, H. Fujihisa, M. Sakashita, and K. Aoki, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.12644 60, 12644 (1999).
10. M. Song, H. Yamawaki, H. Fujihisa, M. Sakashita, and K. Aoki, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.014106 68, 014106 (2003).
11. A. F. Goncharov, N. Goldman, L. E. Fried, J. C. Crowhurst, I. Feng W. Kuo, C. J. Mundy, and J. M. Zaug, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.125508 94, 125508 (2005).
12. M. Somayazulu, J. Shu, C.-s. Zha, A. F. Goncharov, O. Tschauner, H.-k. Mao, and R. J. Hemley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2813890 128, 064510 (2008).
13. J. Hammersley, FIT2D V12.012 Reference Manual (ESRF, Grenoble, France, 1996).
14. J. C. Jamieson, J. N. Fritz, and M. H. Manghnani, in High Pressure Research in Geophysics, edited by, S. Akimoto, and, M. H. Manghnani, (Springer, New York, 1982), p. 27.
15. Y. Akahama and H. Kawamura, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2335683 100, 043516 (2006).
16. W. F. Kuhs, J. L. Finney, C. Vettier, and D. V. Bliss, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.448109 81, 3612 (1984).
17. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.64.1045 64, 1045 (1992).
18. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, 7892 (1990).
19. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
20. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
21. T. Iitaka and T. Ebisuzaki, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.172105 68, 172105 (2003).
22. C.-S. Zha, R. J. Hemley, S. A. Gramsch, H. K. Mao, and W. A. Bassett, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2463773 126, 074506 (2007).
23. J. J. Sakurai, Modern Quantum Mechanics (Addison-Wesley, Reading, MA, 1994).
24. M. L. Bellac, F. Mortessagne, and G. G. Batrouni, Equilibrium and Non-Equilibrium Statistical Thermodynamics (Cambridge University Press, Cambridge, 2004).
25. W. L. Vos, L. W. Finger, R. J. Hemley, and H.-K. Mao, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(96)00583-0 257, 524 (1996).
26. J. Tsuchiya, T. Tsuchiya, S. Tsuneyuki, and T. Yamanaka, Geophys. Res. Lett. GPRLAJ 0094-8276 10.1029/2002GL015417 29, 1909 (2002).
27. J. Tsuchiya, T. Tsuchiya, and S. Tsuneyuki, Am. Mineral. AMMIAY 0003-004X 10.2138/am.2005.1628 90, 44 (2005).