Synthesis of sodium polyhydrides at high pressures

被引:82
作者
Struzhkin, Viktor V. [1 ]
Kim, Duck Young [1 ,2 ]
Stavrou, Elissaios [1 ,3 ]
Muramatsu, Takaki [1 ]
Mao, Ho-kwang [1 ,2 ]
Pickard, Chris J. [4 ,5 ]
Needs, Richard J. [6 ]
Prakapenka, Vitali B. [7 ]
Goncharov, Alexander F. [1 ,8 ]
机构
[1] Carnegie Inst Sci, Geophys Lab, 5251 Broad Branch Rd NW, Washington, DC 20015 USA
[2] Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China
[3] Lawrence Livermore Natl Lab, Div Mat Sci, 7000 East Ave,L-350, Livermore, CA 94550 USA
[4] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England
[5] Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, Cambridge CB3 0FS, England
[6] Cavendish Lab, Condensed Matter Theory Grp, JJ Thomson Ave, Cambridge CB3 0HE, England
[7] Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60637 USA
[8] Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Anhui, Peoples R China
基金
美国国家科学基金会; 英国工程与自然科学研究理事会;
关键词
GENERALIZED GRADIENT APPROXIMATION; METALLIC HYDROGEN; LITHIUM; H-3(-); SUPERCONDUCTIVITY; TRANSITION; COMPLEXES; MOLECULES; HYDRIDE; SYSTEM;
D O I
10.1038/ncomms12267
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
The only known compound of sodium and hydrogen is archetypal ionic NaH. Application of high pressure is known to promote states with higher atomic coordination, but extensive searches for polyhydrides with unusual stoichiometry have had only limited success in spite of several theoretical predictions. Here we report the first observation of the formation of polyhydrides of Na (NaH3 and NaH7) above 40GPa and 2,000 K. We combine synchrotron X-ray diffraction and Raman spectroscopy in a laser-heated diamond anvil cell and theoretical random structure searching, which both agree on the stable structures and compositions. Our results support the formation of multicenter bonding in a material with unusual stoichiometry. These results are applicable to the design of new energetic solids and high-temperature superconductors based on hydrogen-rich materials.
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页数:8
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