期刊
PHYSICAL REVIEW LETTERS
卷 119, 期 10, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.119.107001
关键词
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资金
- Science Challenge Project [TZ2016001]
- National Natural Science Foundation of China [11534003]
- National Key Research and Development Program of China [2016YFB0201200]
- China Postdoctoral Science Foundation [2016M590033]
- Natural Science Foundation of Henan Province [162300410199]
- Program for Science and Technology Innovation Talents in University of Henan Province [17HASTIT015]
- Open Project of the State Key Laboratory of Superhard Materials, Jilin University [201602]
- Engineering and Physical Sciences Research Council (EPSRC) of the UK [EP/J017639/1]
- Royal Society
- UKCP consortium [EP/P022596/1]
- Engineering and Physical Sciences Research Council [EP/F032773/1, EP/J017639/1, EP/P022596/1] Funding Source: researchfish
- EPSRC [EP/P022596/1, EP/J017639/1, EP/F032773/1] Funding Source: UKRI
Room-temperature superconductivity has been a long-held dream and an area of intensive research. Recent experimental findings of superconductivity at 200 K in highly compressed hydrogen (H) sulfides have demonstrated the potential for achieving room-temperature superconductivity in compressed H-rich materials. We report first-principles structure searches for stable H-rich clathrate structures in rare earth hydrides at high pressures. The peculiarity of these structures lies in the emergence of unusual H cages with stoichiometries H-24, H-29, and H-32, in which H atoms are weakly covalently bonded to one another, with rare earth atoms occupying the centers of the cages. We have found that high-temperature superconductivity is closely associated with H clathrate structures, with large H-derived electronic densities of states at the Fermi level and strong electron-phonon coupling related to the stretching and rocking motions of H atoms within the cages. Strikingly, a yttrium (Y) H-32 clathrate structure of stoichiometry YH10 is predicted to be a potential room-temperature superconductor with an estimated T-c of up to 303 K at 400 GPa, as derived by direct solution of the Eliashberg equation.
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