Prediction of Room-Temperature Superconductivity in Quasi-atomic H2-Type Hydrides at High Pressure

Abstract

Achieving superconductivity at room temperature (RT) is a holy grail in physics. Recent discoveries on high-Tc superconductivity in binary hydrides H3S and LaH10 at high pressure have directed the search for RT superconductors to compress hydrides with conventional electron-phonon mechanisms. Here, we predict an exceptional family of superhydrides under high pressures, MH12 (M = Mg, Sc, Zr, Hf, Lu), all exhibiting RT superconductivity with calculated Tcs ranging from 313 to 398 K. In contrast to H3S and LaH10, the hydrogen sublattice in MH12 is arranged as quasi-atomic H2 units. This unique configuration is closely associated with high Tc, attributed to the high electronic density of states derived from H2 antibonding states at the Fermi level and the strong electron-phonon coupling related to the bending vibration of H2 and H-M-H. Notably, MgH12 and ScH12 remain dynamically stable even at pressure below 100 GPa. Our findings offer crucial insights into achieving RT superconductivity and pave the way for innovative directions in experimental research.

References in corpus (9)

• Pressure-induced decomposition of solid hydrogen sulfide
• Superconductivity above 200 K Observed in Superhydrides of Calcium
• Density functional theory study of phase IV of solid hydrogen
• Enhancement of the superconducting critical temperature realized in the La-Ce-H system at moderate pressures
• Efficient route to achieve superconductivity improvement via substitutional La-Ce alloy superhydride at high pressure
• High-throughput discovery of high-temperature conventional superconductors
• Superconductivity in Zirconium Polyhydrides with Tc above 70 K
• Sr-Doped Molecular Hydrogen: Synthesis and Properties of SrH${}_{22}$
• Prediction of Room-Temperature Superconductivity in Quasi-atomic H2-Type Hydrides at High Pressure

Cited by in corpus (7)

• Prediction of Room-Temperature Superconductivity in Quasi-atomic H2-Type Hydrides at High Pressure
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• Ternary superhydrides under pressure of Anderson's theorem: Near-record superconductivity in (La,Sc)H${}_{12}$
• Stability and Superconductivity of Ternary Polyhydrides
• Transmission of radio-frequency waves and nuclear magnetic resonance in lanthanum superhydrides
• Einstein and Debye temperatures, electron-phonon coupling constant and a probable mechanism for ambient-pressure room-temperature superconductivity in intercalated graphite
• Realizing high-temperature superconductivity in compressed molecular-hydrogen through Li doping