Physical Review B, volume 99, issue 22, publication number 220502

Superconductivity in sodalite-like yttrium hydride clathrates

Heil C. ¹

Di Cataldo Simone ¹

Bachelet G.B. ²

Boeri L. ²

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Institute of Theoretical and Computational Physics, Graz University of Technology, NAWI Graz, 8010 Graz, Austria |

Dipartimento di Fisica, Sapienza Università di Roma, 00185 Roma, Italy |

Publication type: Journal Article

Publication date: 2019-06-10

American Physical Society (APS)

Journal: Physical Review B

Quartile SCImago

Quartile WOS

Impact factor: 3.7

ISSN: 24699950, 24699969, 10980121, 1550235X

DOI: 10.1103/PhysRevB.99.220502

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Abstract

Motivated by the discovery of near-room-temperature superconductivity in the sodalite-like clathrate hydride ${\mathrm{LaH}}_{10}$, we report ab initio calculations of the superconducting properties of two closely related hydrides ${\mathrm{YH}}_{6}$ and ${\mathrm{YH}}_{10}$ for which an even higher ${T}_{\mathrm{c}}$ 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 ${\ensuremath{\mu}}^{*}=0.11$, at odds with claims of unusually large ${\ensuremath{\mu}}^{*}$ in lanthanum hydrides. The corresponding critical temperatures at 300 GPa exceed room temperature (${T}_{\mathrm{c}}=290$ and 310 K for ${\mathrm{YH}}_{6}$ and ${\mathrm{YH}}_{10}$), 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-${T}_{\mathrm{c}}$ superconducting ${\mathrm{YH}}_{3}$ may inspire strategies to improve the superconducting properties of this class of hydrides.

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American Physical Society (APS)	American Physical Society (APS), 21, 23.33% American Physical Society (APS) 21 publications, 23.33%
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Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 3, 3.33% Royal Society of Chemistry (RSC) 3 publications, 3.33%
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Frontiers Media S.A.	Frontiers Media S.A., 2, 2.22% Frontiers Media S.A. 2 publications, 2.22%
Physical Society of Japan	Physical Society of Japan, 1, 1.11% Physical Society of Japan 1 publication, 1.11%
Scientific Research Publishing	Scientific Research Publishing, 1, 1.11% Scientific Research Publishing 1 publication, 1.11%
Uspekhi Fizicheskikh Nauk Journal	Uspekhi Fizicheskikh Nauk Journal, 1, 1.11% Uspekhi Fizicheskikh Nauk Journal 1 publication, 1.11%
	5 10 15 20 25

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Heil C. et al. Superconductivity in sodalite-like yttrium hydride clathrates // Physical Review B. 2019. Vol. 99. No. 22. 220502

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Heil C., Di Cataldo S., Bachelet G., Boeri L. Superconductivity in sodalite-like yttrium hydride clathrates // Physical Review B. 2019. Vol. 99. No. 22. 220502

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RIS Copy

TY - JOUR

DO - 10.1103/PhysRevB.99.220502

UR - https://doi.org/10.1103%2FPhysRevB.99.220502

TI - Superconductivity in sodalite-like yttrium hydride clathrates

T2 - Physical Review B

AU - Heil, C.

AU - Di Cataldo, Simone

AU - Bachelet, G.B.

AU - Boeri, L.

PY - 2019

DA - 2019/06/10 00:00:00

PB - American Physical Society (APS)

IS - 22

VL - 99

SN - 2469-9950

SN - 2469-9969

SN - 1098-0121

SN - 1550-235X

ER -

BibTex

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BibTex Copy

@article{2019_Heil,

author = {C. Heil and Simone Di Cataldo and G.B. Bachelet and L. Boeri},

title = {Superconductivity in sodalite-like yttrium hydride clathrates},

journal = {Physical Review B},

year = {2019},

volume = {99},

publisher = {American Physical Society (APS)},

month = {jun},

url = {https://doi.org/10.1103%2FPhysRevB.99.220502},

number = {22},

doi = {10.1103/PhysRevB.99.220502}

}

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Publisher

American Physical Society (APS)

Journal

Physical Review B

Quartile SCImago

Quartile WOS

Impact factor

3.7

ISSN

24699950 (Print)
24699969 (Electronic)
10980121 (Print)
1550235X (Electronic)

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