Journal of Physical Chemistry Letters, volume 12, issue 1, pages 32-40

Novel Strongly Correlated Europium Superhydrides

Dmitry V. Semenok ¹

Di Zhou ²

Alexander G. Kvashnin ¹

Xiaoli Huang ²

Michele Galasso ¹

Ivan A. Kruglov ^{3, 4}

A. Ivanova ⁵

A. G. Gavriliuk ^{5, 6}

Wuhao Chen ²

Nikolay V. Tkachenko ⁷

ALEXANDER A. BOLDYREV ⁷

I. A. Troyan ⁵

A. R. Oganov ¹

Tian Cui ^{2, 8}

Hide authors affiliations Show authors affiliations: 8 affiliations

Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Bolshoy Boulevard 30, bld. 1, Moscow 143026, Russia |

State key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China |

Dukhov Research Institute of Automatics (VNIIA), Moscow 127055, Russia |

⁴

Moscow Institute of Physics and Technology, 9 Institutsky Lane, Dolgoprudny 141700, Russia |

⁵

Shubnikov Institute of Crystallography, Federal Scientific Research Center Crystallography and Photonics, Russian Academy of Sciences, 59 Leninskii pr-t, Moscow 119333, Russia

FSRC "Crystallography and photonics" of NRC «Kurchatov Institute»

Shubnikov Institute of Crystallography

⁶

IC RAS Institute for Nuclear Research, Russian Academy of Sciences, Moscow 117312, Russia |

⁷

Department of Chemistry and Biochemistry, Utah State University, 0300 Old Main Hill, Logan, Utah 84322-0300, United States |

⁸

School of Physical Science and Technology, Ningbo University, Ningbo 315211, China |

Publication type: Journal Article

Publication date: 2020-12-09

American Chemical Society (ACS)

Journal: Journal of Physical Chemistry Letters

Quartile SCImago

Quartile WOS

Impact factor: 5.7

ISSN: 19487185, 19487185

DOI: 10.1021/acs.jpclett.0c03331

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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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Citations by publishers

	1 2 3 4 5 6 7
American Physical Society (APS)	American Physical Society (APS), 7, 19.44% American Physical Society (APS) 7 publications, 19.44%
American Chemical Society (ACS)	American Chemical Society (ACS), 6, 16.67% American Chemical Society (ACS) 6 publications, 16.67%
Springer Nature	Springer Nature, 4, 11.11% Springer Nature 4 publications, 11.11%
Wiley	Wiley, 3, 8.33% Wiley 3 publications, 8.33%
Elsevier	Elsevier, 3, 8.33% Elsevier 3 publications, 8.33%
IOP Publishing	IOP Publishing, 3, 8.33% IOP Publishing 3 publications, 8.33%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 3, 8.33% Royal Society of Chemistry (RSC) 3 publications, 8.33%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 1, 2.78% American Institute of Physics (AIP) 1 publication, 2.78%
Frontiers Media S.A.	Frontiers Media S.A., 1, 2.78% Frontiers Media S.A. 1 publication, 2.78%
Science in China Press	Science in China Press, 1, 2.78% Science in China Press 1 publication, 2.78%
American Association for the Advancement of Science (AAAS)	American Association for the Advancement of Science (AAAS), 1, 2.78% American Association for the Advancement of Science (AAAS) 1 publication, 2.78%
Uspekhi Fizicheskikh Nauk Journal	Uspekhi Fizicheskikh Nauk Journal, 1, 2.78% Uspekhi Fizicheskikh Nauk Journal 1 publication, 2.78%
Oxford University Press	Oxford University Press, 1, 2.78% Oxford University Press 1 publication, 2.78%
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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.

GOST all authors (up to 50) Copy

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.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1021/acs.jpclett.0c03331

UR - https://doi.org/10.1021/acs.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 -

BibTex |

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BibTex Copy

@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/acs.jpclett.0c03331},

number = {1},

pages = {32--40},

doi = {10.1021/acs.jpclett.0c03331}

}

MLA

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MLA Copy

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/acs.jpclett.0c03331.

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American Chemical Society (ACS)

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Journal of Physical Chemistry Letters

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19487185 (Electronic)
19487185 (Print)

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