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

Abstract

Water and hydrogen at high pressure make up a substantial fraction of the interiors of giant planets. Using ab initio random structure search methods we investigate the ground-state crystal structures of water, hydrogen, and hydrogen-oxygen compounds. We find that, at pressures beyond 14 Mbar, excess hydrogen is incorporated into the ice phase to form a novel structure with H4O stoichiometry. We also predict two new ground state structures, P2_1/m and I4/mmm, for post-C2/m water ice.

References in corpus (10)

• Ab initio Random Structure Searching
• High-pressure phases of silane
• Zero-Temperature Structures of Atomic Metallic Hydrogen
• New Phases of Water Ice Predicted at Megabar Pressures
• Quasi-molecular and atomic phases of dense solid hydrogen
• New ultrahigh pressure phases of H2O ice predicted using an adaptive genetic algorithm
• Persistence and eventual demise of oxygen molecules at terapascal pressures
• High-pressure behavior of dense hydrogen up to 3.5 TPa from density functional theory calculations
• Ground-State Structures of Ice at High-Pressures
• Hydrogen/nitrogen/oxygen defect complexes in silicon from computational searches

Cited by in corpus (7)

• A Perspective on Conventional High-Temperature Superconductors at High Pressure: Methods and Materials
• Influence of bonding on superconductivity in high-pressure hydrides
• Decomposition and terapascal phases of water ice
• The Search for Superconductivity in High Pressure Hydrides
• First-Principles Equation of State and Electronic Properties of Warm Dense Oxygen
• Toward an accurate equation of state and B1-B2 phase boundary for magnesium oxide to TPa pressures and eV temperatures
• Ab initio Simulations of Superionic H2O, H2O2, and H9O4 Compounds