Journal of Physical Chemistry Letters, том 12, издание 1, номера страниц: 32-40

Novel Strongly Correlated Europium Superhydrides

Zhou Di 2
Huang Xiaoli 2
Galasso Michele 1
Kruglov Ivan 3, 4
Ivanova Anna G. 5
Chen Wuhao 2
Troyan Ivan 5
Cui Tian 2, 8
2
 
State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China
5
 
Shubnikov Institute of Crystallography, Federal Scientific Research Center Crystallography and Photonics, Russian Academy of Sciences, 59 Leninskii pr-t, Moscow 119333, Russia
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
Тип документаJournal Article
Дата публикации2020-12-09
ИздательAmerican Chemical Society
Название журналаJournal of Physical Chemistry Letters
Квартиль по SCImagoQ1
Квартиль по Web of ScienceQ1
Импакт-фактор 20216.89
ISSN19487185
Physical and Theoretical Chemistry
General Materials Science
Краткое описание
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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1. Semenok D.V. и др. Novel Strongly Correlated Europium Superhydrides // The Journal of Physical Chemistry Letters. 2020. Т. 12. № 1. С. 32–40.
RIS |
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TY - JOUR

DO - 10.1021/acs.jpclett.0c03331

UR - http://dx.doi.org/10.1021/acs.jpclett.0c03331

TI - Novel Strongly Correlated Europium Superhydrides

T2 - The Journal of Physical Chemistry Letters

AU - Semenok, Dmitrii V.

AU - Zhou, Di

AU - Kvashnin, Alexander G.

AU - Huang, Xiaoli

AU - Galasso, Michele

AU - Kruglov, Ivan A.

AU - Ivanova, Anna G.

AU - Gavriliuk, Alexander G.

AU - Chen, Wuhao

AU - Tkachenko, Nikolay V.

AU - Boldyrev, Alexander I.

AU - Troyan, Ivan

AU - Oganov, Artem R.

AU - Cui, Tian

PY - 2020

DA - 2020/12/09

PB - American Chemical Society (ACS)

SP - 32-40

IS - 1

VL - 12

SN - 1948-7185

SN - 1948-7185

ER -

BibTex |
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@article{Semenok_2020,

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

url = {https://doi.org/10.1021%2Facs.jpclett.0c03331},

year = 2020,

month = {dec},

publisher = {American Chemical Society ({ACS})},

volume = {12},

number = {1},

pages = {32--40},

author = {Dmitrii V. Semenok and Di Zhou and Alexander G. Kvashnin and Xiaoli Huang and Michele Galasso and Ivan A. Kruglov and Anna G. Ivanova and Alexander G. Gavriliuk and Wuhao Chen and Nikolay V. Tkachenko and Alexander I. Boldyrev and Ivan Troyan and Artem R. Oganov and Tian Cui},

title = {Novel Strongly Correlated Europium Superhydrides},

journal = {The Journal of Physical Chemistry Letters}

}

MLA
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Semenok, Dmitrii V. et al. “Novel Strongly Correlated Europium Superhydrides.” The Journal of Physical Chemistry Letters 12.1 (2020): 32–40. Crossref. Web.