Journal of the American Chemical Society, том 142, издание 6, номера страниц: 2803-2811

High-Pressure Synthesis of Magnetic Neodymium Polyhydrides

Zhou Di 1
Xie Hui 1
Huang Xiaoli 1
Duan Defang 1
Aperis Alex 3
Oppeneer Peter M. 3
Galasso Michele 2
Karstev Alexey 4, 5
Oganov Artem R. 2, 6
Cui Tian 1, 7
State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China
Department of Physics and Astronomy, Uppsala University, P.O. Box 516, Uppsala SE-75120, Sweden
Computing Center of Far Eastern Branch of the Russian Academy of Sciences (CC FEB RAS), Khabarovsk 680000, Russian Federation
School of Mathematics and Physics, Queen’s University Belfast, Belfast, Northern Ireland BT7 1NN, United Kingdom
International Center for Materials Discovery, Northwestern Polytechnical University, Xi’an 710072, China
School of Physical Science and Technology, Ningbo University, Ningbo 315211, China
Тип документаJournal Article
Дата публикации2020-01-22
ИздательAmerican Chemical Society
Название журналаJournal of the American Chemical Society
Квартиль по SCImagoQ1
Квартиль по Web of ScienceQ1
Импакт-фактор 202116.38
ISSN00027863, 15205126
General Chemistry
Colloid and Surface Chemistry
Краткое описание
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).
Пристатейные ссылки: 53
Цитируется в публикациях: 42


1. Zhou D. и др. High-Pressure Synthesis of Magnetic Neodymium Polyhydrides // Journal of the American Chemical Society. 2020. Т. 142. № 6. С. 2803–2811.


DO - 10.1021/jacs.9b10439

UR -

TI - High-Pressure Synthesis of Magnetic Neodymium Polyhydrides

T2 - Journal of the American Chemical Society

AU - Zhou, Di

AU - Semenok, Dmitrii V.

AU - Xie, Hui

AU - Huang, Xiaoli

AU - Duan, Defang

AU - Aperis, Alex

AU - Oppeneer, Peter M.

AU - Galasso, Michele

AU - Kartsev, Alexey I.

AU - Kvashnin, Alexander G.

AU - Oganov, Artem R.

AU - Cui, Tian

PY - 2020

DA - 2020/01/22

PB - American Chemical Society (ACS)

SP - 2803-2811

IS - 6

VL - 142

SN - 0002-7863

SN - 1520-5126

ER -

BibTex |


doi = {10.1021/jacs.9b10439},

url = {},

year = 2020,

month = {jan},

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

volume = {142},

number = {6},

pages = {2803--2811},

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

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

journal = {Journal of the American Chemical Society}


Zhou, Di et al. “High-Pressure Synthesis of Magnetic Neodymium Polyhydrides.” Journal of the American Chemical Society 142.6 (2020): 2803–2811. Crossref. Web.