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 (3)

• Hydrogen sulphide at high pressure: a strongly-anharmonic phonon-mediated superconductor
• What superconducts in sulfur hydrides under pressure, and why
• Conventional superconductivity at 190 K at high pressures

Cited by in corpus (8)

• First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides
• Electron-phonon coupling mechanisms for hydrogen-rich metals at high pressure
• Quantitative analysis of nonadiabatic effects in dense H${}_3$S and PH${}_3$ superconductors
• Prediction of Stable Ground-State Lithium Polyhydrides under High Pressures
• High-Pressure Hydrogen Sulfide by Diffusion Quantum Monte Carlo
• 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
• Phase diagram and superconductivity of polonium hydrides under high pressure