Journal of the American Chemical Society, volume 142, issue 6, pages 2803-2811

High-Pressure Synthesis of Magnetic Neodymium Polyhydrides

Zhou Di ¹

Semenok Dmitry V. ²

Xie Hui ¹

Huang Xiaoli ¹

Duan Defang ¹

Aperis Alex ³

Oppeneer Peter ³

Galasso Michele ²

Kartsev Alexey ^{4, 5}

Kvashnin Alexander G. ²

Oganov Artem R ^{2, 6}

Cui Tian ^{1, 7}

Hide authors affiliations Show authors affiliations: 7 affiliations

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

Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, 3 Nobel Street, Moscow 121205, Russia |

Department of Physics and Astronomy, Uppsala University, P.O. Box 516, Uppsala SE-75120, Sweden |

⁴

Computing Center of Far Eastern Branch of the Russian Academy of Sciences (CC FEB RAS), Khabarovsk 680000, Russian Federation |

⁵

School of Mathematics and Physics, Queen’s University Belfast, Belfast, Northern Ireland BT7 1NN, United Kingdom |

⁶

International Center for Materials Discovery, Northwestern Polytechnical University, Xi’an 710072, China |

⁷

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

Publication type: Journal Article

Publication date: 2020-01-22

American Chemical Society (ACS)

Journal: Journal of the American Chemical Society

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Quartile WOS

Impact factor: 15

ISSN: 00027863, 15205126

DOI: 10.1021/jacs.9b10439

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General Chemistry

Catalysis

Biochemistry

Colloid and Surface Chemistry

Abstract

The current search for room-temperature superconductivity is inspired by the unique properties of the electron-phonon interaction in metal superhydrides. Encouraged by the recently found highest-TC superconductor fcc-LaH10, here we discover several superhydrides of another lanthanide - neodymium. We identify three novel metallic Nd-H phases at pressures range from 85 to 135 GPa: I4/mmm-NdH4, C2/с-NdH7, and P63/mmc-NdH9, synthesized by laser-heating metal samples in NH3BH3 media for in situ generation of hydrogen. A lower trihydride Fm3 ̅m-NdH3 is found at pressures from 2 to 52 GPa. I4/mmm-NdH4 and C2/с-NdH7 are stable from 135 down to 85 GPa, and P63/mmc-NdH9 from 110 to 130 GPa. Measurements of the electrical resistance of NdH9 demonstrate a possible superconducting transition at ~ 4.5 K in P63/mmc-NdH9. Our theoretical calculations predict that all the neodymium hydrides have antiferromagnetic order at pressures below 150 GPa and represent one of the first discovered examples of strongly correlated superhydrides with large exchange spin-splitting in the electron band structure (> 450 meV). The critical Néel temperatures for new neodymium hydrides are estimated using the mean-field approximation as about 200 K (NdH4), 180 K (NdH7) and 400 K (NdH9).

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American Physical Society (APS)	American Physical Society (APS), 14, 24.56% American Physical Society (APS) 14 publications, 24.56%
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Science in China Press	Science in China Press, 1, 1.75% Science in China Press 1 publication, 1.75%
Chinese Physical Society	Chinese Physical Society, 1, 1.75% Chinese Physical Society 1 publication, 1.75%
Uspekhi Fizicheskikh Nauk Journal	Uspekhi Fizicheskikh Nauk Journal, 1, 1.75% Uspekhi Fizicheskikh Nauk Journal 1 publication, 1.75%
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Zhou D. et al. High-Pressure Synthesis of Magnetic Neodymium Polyhydrides // Journal of the American Chemical Society. 2020. Vol. 142. No. 6. pp. 2803-2811.

GOST all authors (up to 50) Copy

Zhou D., Semenok D. V., Xie H., Huang X., Duan D., Aperis A., Oppeneer P., Galasso M., Kartsev A., Kvashnin A. G., Oganov A. R., Cui T. High-Pressure Synthesis of Magnetic Neodymium Polyhydrides // Journal of the American Chemical Society. 2020. Vol. 142. No. 6. pp. 2803-2811.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1021/jacs.9b10439

UR - https://doi.org/10.1021%2Fjacs.9b10439

TI - High-Pressure Synthesis of Magnetic Neodymium Polyhydrides

T2 - Journal of the American Chemical Society

AU - Huang, Xiaoli

AU - Duan, Defang

AU - Kartsev, Alexey

AU - Kvashnin, Alexander G.

AU - Oganov, Artem R

AU - Cui, Tian

AU - Zhou, Di

AU - Semenok, Dmitry V.

AU - Xie, Hui

AU - Aperis, Alex

AU - Oppeneer, Peter

AU - Galasso, Michele

PY - 2020

DA - 2020/01/22 00:00:00

PB - American Chemical Society (ACS)

SP - 2803-2811

IS - 6

VL - 142

SN - 0002-7863

SN - 1520-5126

ER -

BibTex |

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BibTex Copy

@article{2020_Zhou,

author = {Xiaoli Huang and Defang Duan and Alexey Kartsev and Alexander G. Kvashnin and Artem R Oganov and Tian Cui and Di Zhou and Dmitry V. Semenok and Hui Xie and Alex Aperis and Peter Oppeneer and Michele Galasso},

title = {High-Pressure Synthesis of Magnetic Neodymium Polyhydrides},

journal = {Journal of the American Chemical Society},

year = {2020},

volume = {142},

publisher = {American Chemical Society (ACS)},

month = {jan},

url = {https://doi.org/10.1021%2Fjacs.9b10439},

number = {6},

pages = {2803--2811},

doi = {10.1021/jacs.9b10439}

}

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Zhou, Di, et al. “High-Pressure Synthesis of Magnetic Neodymium Polyhydrides.” Journal of the American Chemical Society, vol. 142, no. 6, Jan. 2020, pp. 2803-2811. https://doi.org/10.1021%2Fjacs.9b10439.

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American Chemical Society (ACS)

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Journal of the American Chemical Society

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15205126 (Electronic)

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