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 HO stoichiometry is stable relative to separate water ice and hydrogen phases. We also predict two new ground-state structures, and , for post- water ice.
- Received 15 September 2012
DOI:https://doi.org/10.1103/PhysRevB.87.024112
©2013 American Physical Society