期刊
PHYSICAL REVIEW B
卷 99, 期 22, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.99.220502
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资金
- Austrian Science Fund (FWF) [J 3806-N36, P 30269-N36]
- dCluster of the Graz University of Technology
- VSC3 of the Vienna University of Technology
- Fondo Ateneo-Sapienza 2017
Motivated by the discovery of near-room-temperature superconductivity in the sodalite-like clathrate hydride LaH10, we report ab initio calculations of the superconducting properties of two closely related hydrides YH6 and YH10 for which an even higher T-c has been predicted. Using fully anisotropic Migdal-Eliashberg theory with Coulomb corrections, we find almost isotropic superconducting gaps, resulting from a uniform distribution of the coupling over states of both Y and H sublattices. The Coulomb screening is rather weak, resulting in a Morel-Anderson pseudopotential mu* = 0.11, at odds with claims of unusually large mu* in lanthanum hydrides. The corresponding critical temperatures at 300 GPa exceed room temperature (T-c = 290 and 310 K for YH6 and YH10), in agreement with a previous isotropic-gap calculation. We estimate anharmonic effects to be weak. The different response of these two compounds to external pressure along with a comparison to low-T-c superconducting YH3 may inspire strategies to improve the superconducting properties of this class of hydrides.
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