Superconductivity in sodalite-like yttrium hydride clathrates

被引：103

作者：

Heil, Christoph ^{[1
]}

di Cataldo, Simone ^{[1
]}

Bachelet, Giovanni B. ^{[2
]}

Boeri, Lilia ^{[2
]}

机构：

[1] Graz Univ Technol, NAWI Graz, Inst Theoret & Computat Phys, A-8010 Graz, Austria

[2] Sapienza Univ Roma, Dipartimento Fis, I-00185 Rome, Italy

来源：

PHYSICAL REVIEW B | 2019年 / 99卷 / 22期

基金：

奥地利科学基金会;

关键词：

LATTICE-VIBRATIONS; TEMPERATURE; LANTHANUM; ELECTRONS; HYDROGEN;

D O I：

10.1103/PhysRevB.99.220502

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

引用

页数：6

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