Physical Review B, том 101, издание 2, номер публикации: 024508

Superconductivity of LaH10 and LaH16 polyhydrides

Kruglov Ivan 1, 2
, 
Semenok Dmitrii V. 3
, 
Song Hao 4
, 
Szczęśniak Radosław 5, 6
, 
Wrona Izabela A. 5
, 
Akashi Ryosuke 7
, 
Davari Esfahani M. Mahdi 8
, 
Duan Defang 4
, 
Cui Tian 4
, 
Kvashnin Alexander G. 1, 3
, 
Oganov Artem R. 1, 2, 3, 9
1
 
2
 
3
 
4
 
Key State Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, China
5
 
Institute of Physics, Jan Dlugosz University in Częstochowa, Ave. Armii Krajowej 13/15, 42–200 Częstochowa, Poland
6
 
Institute of Physics, Częstochowa University of Technology, Ave. Armii Krajowej 19, 42–200 Częstochowa, Poland
7
 
University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113–8654, Japan
8
 
Department of Geosciences and Center for Materials by Design, Institute for Advanced Computational Science, State University of New York, Stony Brook, New York 11794-2100, USA
9
 
International Center for Materials Discovery, Northwestern Polytechnical University, Xi'an 710072, China
Тип документа: Journal Article
Дата публикации: 2020-01-14
Издатель: American Physical Society
Название журнала: Physical Review B
Квартиль по SCImago: Q1
Квартиль по Web of Science: Q2
Импакт-фактор 2021: 3.91
ISSN: 24699950, 24699969, 10980121, 1550235X
Краткое описание
We explore high-pressure phase stability and superconductivity of lanthanum hydrides $LaH_m$ (m=4-11,16). We predict stability of a hitherto unreported polyhydride $P6/mmm$-$LaH_{16}$ at pressures above 150 GPa; at 200 GPa its predicted superconducting $T_C$ is 156 K, critical field $\mu_0$$H_C$(0) ~ 35 T and superconducting gap is up to 35 meV. We revisit superconductivity of the recently discovered $LaH_{10}$ and find its $T_C$ to be up to 259 K (170 GPa) from solving the Eliashberg equation and 271 K from solving the gap equation in SCDFT which also allowed us to compute the Coulomb pseudopotential $\mu^*$ for $LaH_{10}$ and $LaH_{16}$. Presence of several polymorph modifications of LaH10 may explain the variety in the experimentally measured $T_C$ values for $LaH_{10}$ [1,2]
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1. Kruglov I.A. и др. Superconductivity of LaH10 and LaH16 polyhydrides // Physical Review B. 2020. Т. 101. № 2.
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TY - JOUR

DO - 10.1103/physrevb.101.024508

UR - http://dx.doi.org/10.1103/PhysRevB.101.024508

TI - Superconductivity of

LaH10

and

LaH16

polyhydrides

T2 - Physical Review B

AU - Kruglov, Ivan A.

AU - Semenok, Dmitrii V.

AU - Song, Hao

AU - Szczęśniak, Radosław

AU - Wrona, Izabela A.

AU - Akashi, Ryosuke

AU - Davari Esfahani, M. Mahdi

AU - Duan, Defang

AU - Cui, Tian

AU - Kvashnin, Alexander G.

AU - Oganov, Artem R.

PY - 2020

DA - 2020/01/14

PB - American Physical Society (APS)

IS - 2

VL - 101

SN - 2469-9950

SN - 2469-9969

ER -

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@article{Kruglov_2020,

doi = {10.1103/physrevb.101.024508},

url = {https://doi.org/10.1103%2Fphysrevb.101.024508},

year = 2020,

month = {jan},

publisher = {American Physical Society ({APS})},

volume = {101},

number = {2},

author = {Ivan A. Kruglov and Dmitrii V. Semenok and Hao Song and Rados{\l}aw Szcz{\k{e}}{\'{s}}niak and Izabela A. Wrona and Ryosuke Akashi and M. Mahdi Davari Esfahani and Defang Duan and Tian Cui and Alexander G. Kvashnin and Artem R. Oganov},

title = {Superconductivity of

{LaH}10

and

{LaH}16

polyhydrides},

journal = {Physical Review B}

}

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Kruglov, Ivan A. et al. “Superconductivity of LaH10 and LaH16 Polyhydrides.” Physical Review B 101.2 (2020): n. pag. Crossref. Web.