Cubic H 3 S around 200 GPa: An atomic hydrogen superconductor stabilized by sulfur
By D. Papaconstantopoulos, B. M. Klein, Michael J. Mehl, W. Pickett. 2015
133 citations recorded by the source corpus.
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.
Subfields: Atomic and Molecular Physics, and Optics, Geophysics, Inorganic Chemistry
View Paper: https://www.semanticscholar.org/paper/41d4e535e2823987fbdce2f9557bce6501ce9ec9
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Citations in the corpus
- Potential high-Tc superconducting lanthanum and yttrium hydrides at high pressure (2017, background): “A subsequent experiment (23) suggested that the superconducting phase is cubic SH3, in agreement with a theoretical study that gave Tc = 204 K within the harmonic approximation (24).”
- Conventional superconductivity at 190 K at high pressures (2014, background): “Interestingly, metallic H3S can be viewed essentially as atomic metallic hydrogen stabilized with sulfur [12].”