High-Pressure Synthesis of Magnetic Neodymium Polyhydrides

被引：90

作者：

Zhou, Di ^{[1
]}

Semenok, Dmitrii V. ^{[2
]}

Xie, Hui ^{[1
]}

Huang, Xiaoli ^{[1
]}

Duan, Defang ^{[1
]}

Aperis, Alex ^{[5
]}

Oppeneer, Peter M. ^{[5
]}

Galasso, Michele ^{[2
]}

Kartsev, Alexey I. ^{[6
,7
]}

Kvashnin, Alexander G. ^{[2
]}

Oganov, Artem R. ^{[2
,3
]}

Cui, Tian ^{[1
,4
]}

机构：

[1] Jilin Univ, Coll Phys, State Key Lab Superhard Mat, Changchun 130012, Peoples R China

[2] Skolkovo Inst Sci & Technol, Moscow 121205, Russia

[3] Northwestern Polytech Univ, Int Ctr Mat Discovery, Xian 710072, Peoples R China

[4] Ningbo Univ, Sch Phys Sci & Technol, Ningbo 315211, Peoples R China

[5] Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden

[6] Russian Acad Sci CC FEB, Far Eastern Branch, Comp Ctr, Khabarovsk 680000, Russia

[7] Queens Univ Belfast, Sch Math & Phys, Belfast BT7 1NN, Antrim, North Ireland

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2020年 / 142卷 / 06期

基金：

国家重点研发计划; 俄罗斯科学基金会; 俄罗斯基础研究基金会; 中国国家自然科学基金; 瑞典研究理事会;

关键词：

HIGH-TEMPERATURE SUPERCONDUCTIVITY; HYDROGEN; HYDRIDE;

D O I：

10.1021/jacs.9b10439

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Ongoing 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-T-C superconductor fcc-LaH10, here we discover several superhydrides of another lanthanoid, neodymium. We identify three novel metallic Nd-H phases at pressures ranging from 85 to 135 GPa: I4/mmm-NdH4, C2/c-NdH7 , and P6(3)/mmc-NdH9, synthesized by laser-heating metal samples in NH3BH3 media for in situ generation of hydrogen. A lower trihydride Fm (3) over barm-NdH3 is found at pressures from 2 to 52 GPa. I4/mmm-NdH4 and C2/c-NdH7 are stable from 135 to 85 GPa, and P6(3) /mmc-NdH9 is stable from 110 to 130 GPa. Measurements of the electrical resistance of NdH9 demonstrate a possible superconducting transition at similar to 4.5 K in P6(3)/mmc-NdH9. Our theoretical calculations predict that all of 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 electronic band structure (>450 meV). The critical Neel temperatures for new neodymium hydrides are estimated using the mean-field approximation to be about 4 K (NdH4), 251 K (NdH7), and 136 K (NdH9).

引用

页码：2803 / 2811

页数：9

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