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New Journal of Physics, volume 21, issue 12, pages 123009

Superconducting TaH5 at high pressure

Publication typeJournal Article
Publication date2019-12-01
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor3.3
ISSN13672630
General Physics and Astronomy
Abstract

Recently, the significant development, in the field of high-temperature superconductivity among the compressed elements hydrides (such as LaH10), opens up a door in pursuing room-temperature superconductors. Therefore, the investigations of excellent superconductivity in hydrogen-rich materials have become a hot topic of considerable interest. Herein, we explore the stabilities of compressed tantalum polyhydrides TaH n (n = 1–6) and the superconductivity by using a particle swarm optimization structure prediction methodology in combination with the first-principles electronic structure framework. As a result of structure searches, we identified a stable TaH5 compound under high pressure, which consists edge shared TaH12 polyhedra. Remarkably, within Allen–Dynes modified McMillan equation, our predicted TaH5 is a superconductor with superconducting critical temperature (T c) of 18–23 K at 100 GPa.

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GOST |
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GOST Copy
Li H. et al. Superconducting TaH5 at high pressure // New Journal of Physics. 2019. Vol. 21. No. 12. p. 123009.
GOST all authors (up to 50) Copy
Li H., Li X., Wang H., Liu G., Li Y., Liu H. Superconducting TaH5 at high pressure // New Journal of Physics. 2019. Vol. 21. No. 12. p. 123009.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1088/1367-2630/ab5a9a
UR - https://doi.org/10.1088%2F1367-2630%2Fab5a9a
TI - Superconducting TaH5 at high pressure
T2 - New Journal of Physics
AU - Li, Hefei
AU - Li, Xue
AU - Wang, Hui
AU - Liu, Guangtao
AU - Li, Yinwei
AU - Liu, Hanyu
PY - 2019
DA - 2019/12/01 00:00:00
PB - IOP Publishing
SP - 123009
IS - 12
VL - 21
SN - 1367-2630
ER -
BibTex |
Cite this
BibTex Copy
@article{2019_Li
author = {Hefei Li and Xue Li and Hui Wang and Guangtao Liu and Yinwei Li and Hanyu Liu},
title = {Superconducting TaH5 at high pressure},
journal = {New Journal of Physics},
year = {2019},
volume = {21},
publisher = {IOP Publishing},
month = {dec},
url = {https://doi.org/10.1088%2F1367-2630%2Fab5a9a},
number = {12},
pages = {123009},
doi = {10.1088/1367-2630/ab5a9a}
}
MLA
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MLA Copy
Li, Hefei, et al. “Superconducting TaH5 at high pressure.” New Journal of Physics, vol. 21, no. 12, Dec. 2019, p. 123009. https://doi.org/10.1088%2F1367-2630%2Fab5a9a.
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