Computational Design of High-Temperature Superconducting Hydride Under Pressure
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更新:2026-04-23 16:34:13 浏览:2次
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摘要
High-temperature superconductivity has attracted great attention in condensed matter physics. In this work, we give the details on the design of high-temperature superconducting hydrides under pressure. Among them, a ternary hydride clathrate LaSc2H24 exhibits high-temperature superconductivity as high as 298 K at ~250 GPa. Through advanced computational searches (CALYPSO), we identify a thermodynamically stable structure incorporating unique Sc@H24/La@H30 cages, which enhance the electron-phonon coupling critical for high critical temperatures (Tc). Theoretical calculations incorporating anharmonicity predict Tc values up to 331 K at 250 GPa1. Experimental synthesis using diamond anvil cell technology at pressures up to 260 GPa, combined with laser heating and cryogenic cooling, yields reproducible zero-resistance transitions at temperatures no lower than 270 K, with some samples exceeding 290 K2. These findings underscore the potential of ternary hydrides to search for room-temperature-Tc superconductivity under pressure.
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