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.

arXiv comment5 pages, 3 figures. The published version

References in corpus (9)

• The metallization and superconductivity of dense hydrogen sulfide
• What superconducts in sulfur hydrides under pressure, and why
• Superconductivity and Lattice Instability in Compressed Lithium from Fermi Surface Hot Spots
• Comparison of the pressure dependences of Tc in the trivalent d-electron superconductors
• Hole superconductivity in $H_{2}S$ and other sulfides under high pressure
• Theoretical Predictions of Superconductivity in Alkali Metals under High Pressure
• Competing Phases, Strong Electron-Phonon Interaction and Superconductivity in Elemental Calcium under High Pressure
• Recent Studies in Superconductivity at Extreme Pressures
• Origin of Strong Coupling in Lithium under Pressure

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