Synthesis of clathrate cerium superhydride CeH9 at 80-100 GPa with atomic hydrogen sublattice.,Nature Communications

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Synthesis of clathrate cerium superhydride CeH9 at 80-100 GPa with atomic hydrogen sublattice.
Nature Communications ( IF 14.7 ) Pub Date : 2019-10-01 , DOI: 10.1038/s41467-019-12326-y
Nilesh P Salke ₁ , M Mahdi Davari Esfahani ₂ , Youjun Zhang ₃ , Ivan A Kruglov _{4,

5} , Jianshi Zhou ₆ , Yaguo Wang ₆ , Eran Greenberg ₇ , Vitali B Prakapenka ₇ , Jin Liu ₁ , Artem R Oganov _{4,

8,

9} , Jung-Fu Lin ₁₀

Affiliation

Center for High Pressure Science & Technology Advanced Research (HPSTAR), 100094, Beijing, China.
Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, State University of New York, Stony Brook, New York, NY, 11794-2100, USA.
Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, China.
Department of Problems of Physics and Energetics, Moscow Institute of Physics and Technology, 9 Institutskiy Lane, Dolgoprudny City, Moscow Region, 141700, Russia.
Dukhov Research Institute of Automatics (VNIIA), Moscow, 127055, Russia.
Department of Mechanical Engineering, The University of Texas at Austin, Austin, TX, 78712, USA.
Center for Advanced Radiation Sources, University of Chicago, Chicago, 60637, IL, USA.
Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, 3 Nobel Street, Moscow, 143026, Russia.
International Center for Materials Design, Northwestern Polytechnical University, 710072, Xi'an, China.
Department of Geological Sciences, The University of Texas at Austin, Austin, TX, 78712, USA.

Hydrogen-rich superhydrides are believed to be very promising high-Tc superconductors. Recent experiments discovered superhydrides at very high pressures, e.g. FeH5 at 130 GPa and LaH10 at 170 GPa. With the motivation of discovering new hydrogen-rich high-Tc superconductors at lowest possible pressure, here we report the prediction and experimental synthesis of cerium superhydride CeH9 at 80-100 GPa in the laser-heated diamond anvil cell coupled with synchrotron X-ray diffraction. Ab initio calculations were carried out to evaluate the detailed chemistry of the Ce-H system and to understand the structure, stability and superconductivity of CeH9. CeH9 crystallizes in a P63/mmc clathrate structure with a very dense 3-dimensional atomic hydrogen sublattice at 100 GPa. These findings shed a significant light on the search for superhydrides in close similarity with atomic hydrogen within a feasible pressure range. Discovery of superhydride CeH9 provides a practical platform to further investigate and understand conventional superconductivity in hydrogen rich superhydrides.

中文翻译：

原子氢亚晶格在80-100 GPa条件下合成笼形铈超氢铈HeH9。

富氢超氢化物被认为是非常有前途的高Tc超导体。最近的实验发现超高压下的超氢化物，例如130 GPa的FeH5和170 GPa的LaH10。出于在尽可能低的压力下发现新的富氢高Tc超导体的动机，在此我们报道了在激光加热的金刚石砧盒中，在80-100 GPa的条件下，用同步加速器X射线衍射对铈超氢化铈CeH9的预测和实验合成。进行了从头算计算，以评估Ce-H系统的详细化学性质并了解CeH9的结构，稳定性和超导性。CeH9结晶为P63 / mmc笼形结构，在100 GPa时具有非常密集的3维原子氢亚晶格。这些发现为寻找在可行的压力范围内与原子氢紧密相似的超氢化物提供了重要的启示。超氢化物CeH9的发现为进一步研究和了解富氢超氢化物中的常规超导性提供了实用的平台。

更新日期：2019-10-01

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