Polyhydride CeH9 with an atomic-like hydrogen clathrate structure

被引：121

作者：

Li, Xin ^{[1
]}

Huang, Xiaoli ^{[1
]}

Duan, Defang ^{[1
,2
]}

Pickard, Chris J. ^{[2
]}

Zhou, Di ^{[1
]}

Xie, Hui ^{[1
]}

Zhuang, Quan ^{[1
]}

Huang, Yanping ^{[1
]}

Zhou, Qiang ^{[1
]}

Liu, Bingbing ^{[1
]}

Cui, Tian ^{[1
]}

机构：

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

[2] Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, Cambridge CB3 0FS, England

来源：

NATURE COMMUNICATIONS | 2019年 / 10卷 / 1期

基金：

中国国家自然科学基金;

关键词：

X-RAY-DIFFRACTION; EQUATION-OF-STATE; CRYSTAL-STRUCTURE; PHASE; HYDRIDE; SUPERCONDUCTIVITY; TRANSITION; LANTHANUM;

D O I：

10.1038/s41467-019-11330-6

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Compression of hydrogen-rich hydrides has been proposed as an alternative way to attain the atomic metallic hydrogen state or high-temperature superconductors. However, it remains a challenge to get access to these states by synthesizing novel polyhydrides with unusually high hydrogen-to-metal ratios. Here we synthesize a series of cerium (Ce) polyhydrides by a direct reaction of Ce and H-2 at high pressures. We discover that cerium polyhydride CeH9, formed above 100 GPa, presents a three-dimensional hydrogen network composed of clathrate H-29 cages. The electron localization function together with band structure calculations elucidate the weak electron localization between H-H atoms and confirm its metallic character. By means of Ce atom doping, metallic hydrogen structure can be realized via the existence of CeH9. Particularly, Ce atoms play a positive role to stabilize the sublattice of hydrogen cages similar to the recently discovered near-room-temperature lanthanum hydride superconductors.

引用

页数：7

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