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APS » Journals » Phys. Rev. Lett. » Volume 62 » Issue 10
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Phys. Rev. Lett. 62, 1150–1153 (1989)

Theory of high-pressure phases of hydrogen

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T. W. Barbee, III and Marvin L. Cohen
Department of Physics, University of California, Berkeley, California 94720
Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

José Luís Martins
Department of Physics, University of California, Berkeley, California 94720
Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455

Received 18 January 1989; published in the issue dated 6 March 1989

The electronic structure and enthalpy are calculated as a function of pressure for several phases of molecular and metallic hydrogen. For the molecular solid we offer an alternative interpretation of the recently observed transition at 1.5 Mbar. For the intermediate-pressure range from 3.8±0.5 to 8.6±1 Mbar, the most stable structures have low coordination numbers and are anisotropic. Among them a metallic filamentary primitive hexagonal phase is particularly stable. For higher pressures, the bcc structure is the most stable.

© 1989 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.62.1150
DOI:
10.1103/PhysRevLett.62.1150
PACS:
62.50.+p, 64.70.Kb, 71.30.+h
 
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