<p>Room-temperature superconductivity is predominantly observed in high-pressure hydrides, but faces a formidable hurdle: the tendency of these materials to decompose and forfeit their superconducting prowess upon pressure release. Consequently, stabilizing room-temperature superconductivity under ambient conditions has emerged as a pressing concern in solid-state physics. Electrides are unique compounds, possessing exceptional properties attributed to the clustering of high-energy excess electrons within the interstices of their lattices. Our theory outlines a general blueprint for achieving ambient superconductivity through the strategic insertion of hydrogen into the interstitial spaces of electride materials. This ingenious approach harnesses quasimolecular H<sub>2</sub> to sequester high-energy electrons, resulting in a substantial density of electronic states at the Fermi level and fostering robust electron-phonon coupling. We implemented this strategy within the realm of alkali metal electrides, fine-tuning their stability via carrier doping effects, grounded in rigorous quantum chemical analyses of pressure-induced chemical bonds. As a result, the KH<sub>6</sub> compound exhibits an exceptional superconducting transition temperature of 222 K at a modest 10 GPa, outperforming previously reported high-pressure superconductors like H<sub>3</sub>S (203 K at 155 GPa) and LaH<sub>10</sub> (250 K at 170 GPa). Furthermore, the hole-doped NaH<sub>6</sub> compound demonstrates superconductivity at ambient pressure with a remarkable <i>T</i><sub>c</sub> of 167 K, surpassing the previous record-holder HgBa<sub>2</sub>Ca<sub>2</sub>Cu<sub>3</sub>O<sub>8</sub> with 134 K.</p>

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The theory of “electride-carrier” precompression

  • Zhongyu Wan,
  • Guo-Hua Zhong,
  • Ruiqin Zhang,
  • Hai-Qing Lin

摘要

Room-temperature superconductivity is predominantly observed in high-pressure hydrides, but faces a formidable hurdle: the tendency of these materials to decompose and forfeit their superconducting prowess upon pressure release. Consequently, stabilizing room-temperature superconductivity under ambient conditions has emerged as a pressing concern in solid-state physics. Electrides are unique compounds, possessing exceptional properties attributed to the clustering of high-energy excess electrons within the interstices of their lattices. Our theory outlines a general blueprint for achieving ambient superconductivity through the strategic insertion of hydrogen into the interstitial spaces of electride materials. This ingenious approach harnesses quasimolecular H2 to sequester high-energy electrons, resulting in a substantial density of electronic states at the Fermi level and fostering robust electron-phonon coupling. We implemented this strategy within the realm of alkali metal electrides, fine-tuning their stability via carrier doping effects, grounded in rigorous quantum chemical analyses of pressure-induced chemical bonds. As a result, the KH6 compound exhibits an exceptional superconducting transition temperature of 222 K at a modest 10 GPa, outperforming previously reported high-pressure superconductors like H3S (203 K at 155 GPa) and LaH10 (250 K at 170 GPa). Furthermore, the hole-doped NaH6 compound demonstrates superconductivity at ambient pressure with a remarkable Tc of 167 K, surpassing the previous record-holder HgBa2Ca2Cu3O8 with 134 K.