June 20, 2024 | Xin-Ling He, Wenbo Zhao, Yu Xie, Andreas Hermann, Russell J. Hemley, Hanyu Liu, Yanming Ma
The article reports the theoretical discovery of a new class of thermodynamically stable clathrate hydrides, specifically LaSc2H24, which exhibits potential for "hot" superconductivity at high pressures. The study, conducted by a team of researchers, utilized computational methods to predict the stability and properties of this compound under megabar pressures. LaSc2H24 is found to be stable at pressures ranging from 167 to 300 GPa, with a calculated superconducting critical temperature (Tc) of up to 331 K at 250 GPa and 316 K at 167 GPa, considering anharmonicity effects. The high Tc values are attributed to an unusually large hydrogen-derived density of states at the Fermi level, arising from the unique combination of H24 and H30 cages in the structure. The introduction of Sc in the La-H system is expected to facilitate the design and realization of other high-temperature superconductors in ternary clathrate hydrides. The findings expand the understanding of how ternary hydrides can be engineered to exhibit diverse hydrogen frameworks and enhanced superconducting properties.The article reports the theoretical discovery of a new class of thermodynamically stable clathrate hydrides, specifically LaSc2H24, which exhibits potential for "hot" superconductivity at high pressures. The study, conducted by a team of researchers, utilized computational methods to predict the stability and properties of this compound under megabar pressures. LaSc2H24 is found to be stable at pressures ranging from 167 to 300 GPa, with a calculated superconducting critical temperature (Tc) of up to 331 K at 250 GPa and 316 K at 167 GPa, considering anharmonicity effects. The high Tc values are attributed to an unusually large hydrogen-derived density of states at the Fermi level, arising from the unique combination of H24 and H30 cages in the structure. The introduction of Sc in the La-H system is expected to facilitate the design and realization of other high-temperature superconductors in ternary clathrate hydrides. The findings expand the understanding of how ternary hydrides can be engineered to exhibit diverse hydrogen frameworks and enhanced superconducting properties.