New phases of water ice predicted at megabar pressures.

  title={New phases of water ice predicted at megabar pressures.},
  author={B. Militzer and H. Wilson},
  journal={Physical review letters},
  volume={105 19},
  • B. Militzer, H. Wilson
  • Published 2010
  • Materials Science, Medicine, Physics
  • Physical review letters
  • Based on density functional calculations we predict water ice to attain two new crystal structures with Pbca and Cmcm symmetry at 7.6 and 15.5 Mbar, respectively. The known high-pressure ice phases VII, VIII, X, and Pbcm as well as the Pbca phase are all insulating and composed of two interpenetrating hydrogen bonded networks, but the Cmcm structure is metallic and consists of corrugated sheets of H and O atoms. The H atoms are squeezed into octahedral positions between next-nearest O atoms… CONTINUE READING
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