H4O and other hydrogen-oxygen compounds at giant-planet core pressures

Shuai Zhang, Hugh F. Wilson, Kevin P. Driver, and Burkhard Militzer
Phys. Rev. B 87, 024112 – Published 31 January 2013

Abstract

Water and hydrogen at high pressure make up a substantial fraction of the interiors of giant planets. Using ab initio random structure searching methods we investigate the ground-state crystal structures of water, hydrogen, and hydrogen-oxygen compounds. We find that, at pressures beyond 14 Mbar, a novel phase with H4O stoichiometry is stable relative to separate water ice and hydrogen phases. We also predict two new ground-state structures, P21/m and I4/mmm, for post-C2/m water ice.

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  • Received 15 September 2012

DOI:https://doi.org/10.1103/PhysRevB.87.024112

©2013 American Physical Society

Authors & Affiliations

Shuai Zhang1,*, Hugh F. Wilson1, Kevin P. Driver1, and Burkhard Militzer1,2,†

  • 1Department of Earth and Planetary Science, University of California, Berkeley, California 94720, USA
  • 2Department of Astronomy, University of California, Berkeley, California 94720, USA

  • *shuai.zhang01@berkeley.edu
  • militzer@berkeley.edu

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Issue

Vol. 87, Iss. 2 — 1 January 2013

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