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The recent theory-driven discovery of a class of clathrate hydrides (e.g., CaH6, YH6, YH9, and LaH10) with superconducting critical temperatures (Tc) well above 200 K has opened the prospects for “hot” superconductivity above room temperature under pressure. Recent efforts focus on the search for superconductors among ternary hydrides that accommodate more diverse material types and configurations compared to binary hydrides. Through extensive computational searches, we report the prediction of a unique class of thermodynamically stable clathrate hydrides structures consisting of two previously unreported H24and H30hydrogen clathrate cages at megabar pressures. Among these phases, LaSc2H24shows potential hot superconductivity at the thermodynamically stable pressure range of 167 to 300 GPa, with calculatedTcs up to 331 K at 250 GPa and 316 K at 167 GPa when the important effects of anharmonicity are included. The very high critical temperatures are attributed to an unusually large hydrogen-derived density of states at the Fermi level arising from the newly reported peculiar H30as well as H24cages in the structure. Our predicted introduction of Sc in the La–H system is expected to facilitate future design and realization of hot superconductors in ternary clathrate superhydrides.
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Hot Hydride Superconductivity Above 550 K
The search for room temperature superconductivity has accelerated in the last few years driven by experimentally accessible theoretical predictions that indicated alloying dense hydrogen with other elements could produce conventional superconductivity at high temperatures and pressures. These predictions helped inform the synthesis of simple binary hydrides that culminated in the discovery of the superhydride LaH 10 with a superconducting transition temperature T c of 260 K at 180 GPa. We have now successfully synthesized a metallic La-based superhydride with an initial T c of 294 K. When subjected to subsequent thermal excursions that promoted a chemical reaction to a higher order system, the T c onset was driven irreversibly to 556 K. X-ray characterization confirmed the formation of a distorted LaH 10 based backbone that suggests the formation of ternary or quaternary compounds with substitution at the La and/or H sites. The results provide evidence for hot superconductivity, aligning with recent predictions for higher order hydrides under pressure.
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- Award ID(s):
- 2104881
- PAR ID:
- 10382990
- Date Published:
- Journal Name:
- Frontiers in Electronic Materials
- Volume:
- 2
- ISSN:
- 2673-9895
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript
- Journal Article:
- https://doi.org/10.3389/femat.2022.837651
