Journal of Physical Chemistry Letters, volume 12, issue 1, pages 32-40
Novel Strongly Correlated Europium Superhydrides
Zhou Di
2
,
Huang Xiaoli
2
,
Galasso Michele
1
,
Kruglov Ivan A.
3, 4
,
Ivanova A.
5
,
Gavriliuk A. G.
5, 6
,
Chen Wuhao
2
,
Troyan I. A.
5
,
Oganov A. R.
1
,
Cui Tian
2, 8
5
7
Department of Chemistry and Biochemistry, Utah State University, 0300 Old Main Hill, Logan, Utah 84322-0300, United States
|
Publication type: Journal Article
Publication date: 2020-12-09
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 5.7
ISSN: 19487185
Physical and Theoretical Chemistry
General Materials Science
Abstract
We conducted a joint experimental-theoretical investigation of the high-pressure chemistry of europium polyhydrides at pressures of 86-130 GPa. We discovered several novel magnetic Eu superhydrides stabilized by anharmonic effects: cubic EuH9, hexagonal EuH9, and an unexpected cubic (Pm3n) clathrate phase, Eu8H46. Monte Carlo simulations indicate that cubic EuH9 has antiferromagnetic ordering with TN of up to 24 K, whereas hexagonal EuH9 and Pm3n-Eu8H46 possess ferromagnetic ordering with TC = 137 and 336 K, respectively. The electron-phonon interaction is weak in all studied europium hydrides, and their magnetic ordering excludes s-wave superconductivity, except, perhaps, for distorted pseudohexagonal EuH9. The equations of state predicted within the DFT+U approach (U - J were found within linear response theory) are in close agreement with the experimental data. This work shows the great influence of the atomic radius on symmetry-breaking distortions of the crystal structures of superhydrides and on their thermodynamic stability.
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Semenok D. V. et al. Novel Strongly Correlated Europium Superhydrides // Journal of Physical Chemistry Letters. 2020. Vol. 12. No. 1. pp. 32-40.
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Semenok D. V., Zhou D., Kvashnin A. G., Huang X., Galasso M., Kruglov I. A., Ivanova A., Gavriliuk A. G., Chen W., Tkachenko N. V., BOLDYREV A. A., Troyan I. A., Oganov A. R., Cui T. Novel Strongly Correlated Europium Superhydrides // Journal of Physical Chemistry Letters. 2020. Vol. 12. No. 1. pp. 32-40.
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TY - JOUR
DO - 10.1021/acs.jpclett.0c03331
UR - https://doi.org/10.1021%2Facs.jpclett.0c03331
TI - Novel Strongly Correlated Europium Superhydrides
T2 - Journal of Physical Chemistry Letters
AU - Chen, Wuhao
AU - Semenok, Dmitry V.
AU - Kvashnin, Alexander G.
AU - Huang, Xiaoli
AU - Kruglov, Ivan A.
AU - Gavriliuk, A. G.
AU - Tkachenko, Nikolay V.
AU - BOLDYREV, ALEXANDER A.
AU - Oganov, A. R.
AU - Cui, Tian
AU - Zhou, Di
AU - Galasso, Michele
AU - Ivanova, A.
AU - Troyan, I. A.
PY - 2020
DA - 2020/12/09 00:00:00
PB - American Chemical Society (ACS)
SP - 32-40
IS - 1
VL - 12
SN - 1948-7185
ER -
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@article{2020_Semenok,
author = {Wuhao Chen and Dmitry V. Semenok and Alexander G. Kvashnin and Xiaoli Huang and Ivan A. Kruglov and A. G. Gavriliuk and Nikolay V. Tkachenko and ALEXANDER A. BOLDYREV and A. R. Oganov and Tian Cui and Di Zhou and Michele Galasso and A. Ivanova and I. A. Troyan},
title = {Novel Strongly Correlated Europium Superhydrides},
journal = {Journal of Physical Chemistry Letters},
year = {2020},
volume = {12},
publisher = {American Chemical Society (ACS)},
month = {dec},
url = {https://doi.org/10.1021%2Facs.jpclett.0c03331},
number = {1},
pages = {32--40},
doi = {10.1021/acs.jpclett.0c03331}
}
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MLA
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Semenok, Dmitry V., et al. “Novel Strongly Correlated Europium Superhydrides.” Journal of Physical Chemistry Letters, vol. 12, no. 1, Dec. 2020, pp. 32-40. https://doi.org/10.1021%2Facs.jpclett.0c03331.