Cubic H${}_3$S around 200 GPa: an atomic hydrogen superconductor stabilized by sulfur

Abstract

The multiple scattering-based theory of Gaspari and Gyorffy for the electron-ion matrix element in close packed metals is applied to Im-3m H3S, which has been predicted by Duan {\it et al.} and Bernstein {\it et al} to be the stable phase at this stoichiometry around 190 GPa, thus is the leading candidate to be the phase observed to superconduct at 190K by Drozdov, Eremets, and Troyan. The nearly perfect separation of vibrational modes into those of S and of H character provides a simplification that enables identification of contributions of the two atoms separately. The picture that arises is basically that of superconducting atomic H stabilized by strong covalent mixing with S 3p and "3d" character. The reported isotope shift is much larger than the theoretical one,suggesting there is large anharmonicity in the H vibrations. Given the relative unimportance of sulfur, hydrides of lighter atoms at similarly high pressures may also lead to high temperature superconductivity.

5 pages, 3 figures. The published version

References in corpus (4)

• What superconducts in sulfur hydrides under pressure, and why
• Hole superconductivity in $H_{2}S$ and other sulfides under high pressure
• Recent Studies in Superconductivity at Extreme Pressures
• Origin of Strong Coupling in Lithium under Pressure

Cited by in corpus (13)

• Unconventional Superconductivity
• First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides
• Nonstandard superconductivity or no superconductivity in hydrides under high pressure
• Comparison of pressurized sulfur hydride with conventional superconductors
• Hole-Doped Room-Temperature Superconductivity in H${}_3$S${}_{1-x}$Z${}_x$ (Z=C, Si)
• Prediction of High-Tc conventional Superconductivity in the Ternary Lithium Borohydride System
• Future Study of Dense Superconducting Hydrides at High Pressure
• Materials under high pressure: A chemical perspective
• 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
• High-$T$${}_{\text{C}}$ Superconductivity in Hydrogen Clathrates Mediated by Coulomb Interactions between Hydrogen and Central-Atom Electrons
• Spectroscopic signatures of phonons in high pressure superconducting hydrides
• Massive electrons and unconventional room-temperature superconductivity in superhydrides