Ordering of Hydrogen Bonds in High-Pressure Low-Temperature H2O

Y. Q. Cai, H.-K. Mao, P. C. Chow, J. S. Tse, Y. Ma, S. Patchkovskii, J. F. Shu, V. Struzhkin, R. J. Hemley, H. Ishii, C. C. Chen, I. Jarrige, C. T. Chen, S. R. Shieh, E. P. Huang, and C. C. Kao
Phys. Rev. Lett. 94, 025502 – Published 19 January 2005

Abstract

The near K-edge structure of oxygen in liquid water and ices III, II, and IX at 0.25 GPa and several low temperatures down to 4 K has been studied using inelastic x-ray scattering at 9884.7 eV with a total energy resolution of 305 and 175 meV. A marked decrease of the preedge intensity from the liquid phase and ice III to ices II and IX is attributed to ordering of the hydrogen bonds in the proton-ordered lattice of the latter phases. Density functional theory calculations including the influence of the Madelung potential of the ice IX crystal correctly account for the remaining preedge feature. Furthermore, we obtain spectroscopic evidence suggesting a possible new phase of ice at temperatures between 4 and 50 K.

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  • Received 11 August 2004

DOI:https://doi.org/10.1103/PhysRevLett.94.025502

©2005 American Physical Society

Authors & Affiliations

Y. Q. Cai1,*, H.-K. Mao2, P. C. Chow1,†, J. S. Tse3, Y. Ma3, S. Patchkovskii3, J. F. Shu2, V. Struzhkin2, R. J. Hemley2, H. Ishii1, C. C. Chen1, I. Jarrige1, C. T. Chen1, S. R. Shieh4, E. P. Huang4, and C. C. Kao5

  • 1National Synchrotron Radiation Research Center, Hsinchu 30077, Taiwan
  • 2Geophysical Laboratory, Carnegie Institution of Washington, Washington, D.C. 20015, USA
  • 3Steacie Institute for Molecular Science, National Research Council of Canada, Ontario, K1A 0R6, Canada
  • 4National Cheng Kung University, Tainan 701, Taiwan
  • 5National Synchrotron Light Source, Brookhaven National Laboratory, Upton, New York 11937, USA

  • *Electronic address: cai@nsrrc.org.tw
  • Present address: HP-CAT, Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439, USA.

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Vol. 94, Iss. 2 — 21 January 2005

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