Journal of Physical Chemistry Letters, volume 9, issue 8, pages 1920-1926
Actinium Hydrides AcH10, AcH12, and AcH16 as High-Temperature Conventional Superconductors
Semenok Dmitry V.
1, 2
,
Kvashnin Alexander G.
1, 2
,
Kruglov Ivan A.
2, 3
,
Oganov A. R.
1, 2, 3, 4
Publication type: Journal Article
Publication date: 2018-03-28
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 5.7
ISSN: 19487185
Physical and Theoretical Chemistry
General Materials Science
Abstract
The stability of numerous unexpected actinium hydrides was predicted via the evolutionary algorithm USPEX. The electron-phonon interaction was investigated for the hydrogen-richest and most symmetric phases: R3̅ m-AcH10, I4/ mmm-AcH12, and P6̅ m2-AcH16. Predicted structures of actinium hydrides are consistent with all previously studied Ac-H phases and demonstrate phonon-mediated high-temperature superconductivity with TC in the range of 204-251 K for R3̅ m-AcH10 at 200 GPa and 199-241 K for P6̅ m2-AcH16 at 150 GPa, which was estimated by directly solving the Eliashberg equation. Actinium belongs to the series of d1 elements (Sc-Y-La-Ac) that form high- TC superconducting (HTSC) hydrides. Combining this observation with previous predictions of p0-HTSC hydrides (MgH6 and CaH6), we propose that p0 and d1 metals with low-lying empty orbitals tend to form phonon-mediated HTSC metal polyhydrides.
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Semenok D. V. et al. Actinium Hydrides AcH10, AcH12, and AcH16 as High-Temperature Conventional Superconductors // Journal of Physical Chemistry Letters. 2018. Vol. 9. No. 8. pp. 1920-1926.
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Semenok D. V., Kvashnin A. G., Kruglov I. A., Oganov A. R. Actinium Hydrides AcH10, AcH12, and AcH16 as High-Temperature Conventional Superconductors // Journal of Physical Chemistry Letters. 2018. Vol. 9. No. 8. pp. 1920-1926.
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TY - JOUR
DO - 10.1021/acs.jpclett.8b00615
UR - https://doi.org/10.1021%2Facs.jpclett.8b00615
TI - Actinium Hydrides AcH10, AcH12, and AcH16 as High-Temperature Conventional Superconductors
T2 - Journal of Physical Chemistry Letters
AU - Semenok, Dmitry V.
AU - Kvashnin, Alexander G.
AU - Kruglov, Ivan A.
AU - Oganov, A. R.
PY - 2018
DA - 2018/03/28 00:00:00
PB - American Chemical Society (ACS)
SP - 1920-1926
IS - 8
VL - 9
SN - 1948-7185
ER -
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@article{2018_Semenok,
author = {Dmitry V. Semenok and Alexander G. Kvashnin and Ivan A. Kruglov and A. R. Oganov},
title = {Actinium Hydrides AcH10, AcH12, and AcH16 as High-Temperature Conventional Superconductors},
journal = {Journal of Physical Chemistry Letters},
year = {2018},
volume = {9},
publisher = {American Chemical Society (ACS)},
month = {mar},
url = {https://doi.org/10.1021%2Facs.jpclett.8b00615},
number = {8},
pages = {1920--1926},
doi = {10.1021/acs.jpclett.8b00615}
}
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MLA
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Semenok, Dmitry V., et al. “Actinium Hydrides AcH10, AcH12, and AcH16 as High-Temperature Conventional Superconductors.” Journal of Physical Chemistry Letters, vol. 9, no. 8, Mar. 2018, pp. 1920-1926. https://doi.org/10.1021%2Facs.jpclett.8b00615.