Pressure-induced decomposition of solid hydrogen sulfide

Abstract

Solid hydrogen sulfide is well known as a typical molecular crystal but its stability under pressure is still under debate. Particularly, Eremets et al. found the high pressure superconductivity with $T_c\approx$ 190 K in a H${}_2$S sample [arXiv: 1412.0460 (2014)] which is associates with the elemental decomposition into H${}_3$S [Sci. Rep. 4, 6968 (2014)]. Therefore, on what pressure H${}_2$S can decompose and which kind of the products of decomposition urgent need to be solved. In this paper, we have performed an extensive structural study on different stoichiometries H${}_n$S with $n>1$ under high pressure using $ab$ $initio$ calculations. Our results show that H${}_2$S is stable below 50 GPa and decomposes into H${}_3$S and sulfur at high pressure, while H${}_3$S is stable at least up to 300 GPa. The other hydrogen-rich H${}_4$S, H${}_5$S, and H${}_6$S are unstable in the pressure range from 20 to 300 GPa.

References in corpus (7)

• Ionic high-pressure form of elemental boron
• Transparent dense sodium
• The metallization and superconductivity of dense hydrogen sulfide
• Hydrogen sulphide at high pressure: a strongly-anharmonic phonon-mediated superconductor
• What superconducts in sulfur hydrides under pressure, and why
• Crystal structure prediction using ab initio evolutionary techniques: principles and applications
• Conventional superconductivity at 190 K at high pressures

Cited by in corpus (63)

• Conventional superconductivity at 203 K at high pressures
• Crystal Structure of 200 K-Superconducting Phase of Sulfur Hydride System
• A Perspective on Conventional High-Temperature Superconductors at High Pressure: Methods and Materials
• Quantum Hydrogen-Bond Symmetrization and High-Temperature Superconductivity in Hydrogen Sulfide
• Superconducting hydrides under pressure
• Design Principles for High Temperature Superconductors with Hydrogen-based Alloy Backbone at Moderate Pressure
• High temperature superconductivity in sulfur and selenium hydrides at high pressure
• Superconductivity in Li6P electride
• First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides
• High-Temperature Superconductivity in Alkaline and Rare Earth Polyhydrides at High Pressure: A Theoretical Perspective
• Tellurium Hydrides at High Pressures: High-temperature Superconductors
• Effect of van Hove singularities on high-Tc superconductivity in H3S
• Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure
• Dissociation products and structures of solid H2S at strong compression
• Possible Superconductivity Approaching Ice Point
• Hydrogen sulfide at high pressure: change in stoichiometry
• Breakdown of the Migdal approximation at Lifshitz transitions with giant zero-point motion in H3S superconductor
• Direct Meissner Effect Observation of Superconductivity in Compressed H2S
• Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides
• Electron-phonon coupling mechanisms for hydrogen-rich metals at high pressure
• High Tc superconductivity in heavy Rare Earth Hydrides: correlation between the presence of the f states on the Fermi surface, nesting and the value of Tc
• High-pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides
• Superconductivity above the lowest Earth temperature in pressurized sulfur hydride
• Quantitative analysis of nonadiabatic effects in dense H${}_3$S and PH${}_3$ superconductors
• Possible "Magnéli" phases and self-alloying in the superconducting sulfur hydride
• Stable high-pressure phases in the H-S system determined by chemically reacting hydrogen and sulfur
• Pressure-induced metallization and superconducting phase in ReS2
• Hole-Doped Room-Temperature Superconductivity in H${}_3$S${}_{1-x}$Z${}_x$ (Z=C, Si)
• High-temperature study of superconducting hydrogen and deuterium sulfide
• The Search for Superconductivity in High Pressure Hydrides
• High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: structural and vibrational properties including quantum and anharmonic effects
• Superconductivity of novel tin hydrides (Sn${}_n$H${}_m$) under pressure
• Band structure and electron-phonon coupling in H${}_3$S:a tight-binding model
• Structure and Composition of the 200 K-Superconducting Phase of H2S under Ultrahigh Pressure: The Perovskite (SH-)(H3S+)
• Training machine-learning potentials for crystal structure prediction using disordered structures
• From LaH10 to room-temperature superconductors
• Strong Anharmonic and Quantum Effects in Pm-3n AlH3 Under High Pressure: A First-Principles Study
• Prediction of Stable Ground-State Lithium Polyhydrides under High Pressures
• Materials under high pressure: A chemical perspective
• Pressure-induced high-temperature superconductivity in ternary Y-Zr-H compounds
• Lifshitz transitions and zero point lattice fluctuations in sulfur hydride showing near room temperature superconductivity
• Quantum anharmonic enhancement of superconductivity in $P{6}_3/mmc$ ScH${}_6$ at high pressures: a first-principles study
• Auxiliary-field quantum Monte Carlo calculations with multiple-projector pseudopotentials
• Prediction of Room-Temperature Superconductivity in Quasi-atomic H2-Type Hydrides at High Pressure
• Superconductivity and unexpected chemistry of germanium hydrides under pressure
• Resonant multigap superconductivity at room temperature near a Lifshitz topological transition in sulfur hydrides
• Prediction of high-Tc superconductivity under submegabar pressure in ternary actinium borohydrides
• High-Pressure Hydrogen Sulfide by Diffusion Quantum Monte Carlo
• The dominance of non-electron-phonon charge carrier interaction in highly-compressed superhydrides
• Unconventional superconductivity in highly-compressed unannealed sulphur hydride
• The possible role of van Hove singularities in the high $T_c$ of superconducting H${}_3$S
• Decomposition of solid hydrogen bromide at high pressure
• Optical properties of superconducting pressurized LaH${}_{10}$
• Debye temperature in LaHx-LaDy superconductors
• Advanced McMillan's equation and its application for the analysis of highly-compressed superconductors
• Phase diagram and superconductivity of polonium hydrides under high pressure
• Pressure-induced decomposition of Bi14WO24
• Characteristics of the Eliashberg formalism on the example of high-pressure superconducting state in phosphor
• On stable H-C-N-O compounds at high pressure
• Non-monotonic dependence of $T_c$ on the c axis compression in the HTSC cuprate La${}_{2-x}$Sr${}_x$CuO${}_4$
• Unexpected Xe cations and superconductivity in Y-Xe compounds under pressure
• Superconducting ternary compounds Li-X-B (X=Mo, W) within the mild pressure range: First-principles predictions
• Applied electric field instead of pressure in H-based superconductors