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Prediction of Room‐Temperature Superconductivity in Quasi‐Atomic H2‐Type Hydrides at High Pressure
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, an exceptional family of superhydrides is predicated 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. The findings offer crucial insights into achieving RT superconductivity and pave the way for innovative directions in experimental research.
Prediction of Room‐Temperature Superconductivity in Quasi‐Atomic H2‐Type Hydrides at High Pressure
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, an exceptional family of superhydrides is predicated 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. The findings offer crucial insights into achieving RT superconductivity and pave the way for innovative directions in experimental research.
Prediction of Room‐Temperature Superconductivity in Quasi‐Atomic H2‐Type Hydrides at High Pressure
Jiang, Qiwen (author) / Duan, Defang (author) / Song, Hao (author) / Zhang, Zihan (author) / Huo, Zihao (author) / Jiang, Shuqing (author) / Cui, Tian (author) / Yao, Yansun (author)
Advanced Science ; 11
2024-09-01
8 pages
Article (Journal)
Electronic Resource
English
Prediction of Room‐Temperature Superconductivity in Quasi‐Atomic H2‐Type Hydrides at High Pressure
| Wiley | 2024
Room-temperature superconductivity
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