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Route to high-Tc superconductivity via CH4-intercalated H3S hydride perovskites

Wenwen Cui, Tiange Bi, Jingming Shi, Yinwei Li, Hanyu Liu, Eva Zurek, Russell J. Hemley

DOI 10.1103/PhysRevB.101.134504 · Physical Review B

T1

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Abstract

While exploring potential superconductors in the C-S-H ternary system using first-principles crystal structure prediction methods, we uncovered a class of hydride perovskites based on the intercalation of methane into an H3S framework. These intriguing H3S−CH4 structures emerge as metastable at ∼100 GPa. Electron-phonon coupling calculations indicate that phases with CSH7 stoichiometry are potential superconductors with Tc values ranging from 100 K to 190 K at megabar pressures. The results are expected to guide the experimental search for new high-Tc superconductors, including those stable at lower pressures than previously documented superconducting hydrides such as H3S and LaH10.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
CSH7

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108100 GPaunknown
CSH7

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194150 GPaunknown
CSH7

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158200 GPaunknown
CSH7

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170150 GPaunknown
CSH7

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138200 GPaunknown
H3S

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203155 GPaunknown
LaH10

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260Pressure not reportedunknown

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