期刊
NATURE COMMUNICATIONS
卷 12, 期 1, 页码 -出版社
NATURE RESEARCH
DOI: 10.1038/s41467-020-20103-5
关键词
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资金
- National Key R&D Program of China [2018YFA0305900]
- National Natural Science Foundation of China [51632002, 11974133, 51720105007]
- Program for Changjiang Scholars and Innovative Research Team in University [IRT_15R23]
- Russian Science Foundation [19-72-30043]
- Russian Ministry of Science and Technology [2711.2020.2]
- National Science Foundation -Earth Sciences [EAR - 1634415]
- Department of Energy -GeoSciences [DE-FG02-94ER14466]
- DOE Office of Science [DE-AC02-06CH11357]
- Russian Foundation for Basic Research [19-03-00100]
- RFBR [20-32-90099]
- Russian Ministry of Science and Higher Education [075-15-2020-808]
- Army Research Office
The study found a new superhydride, BaH12, in the barium-hydrogen system with metallic properties and superconductivity below 1.5 Mbar. This compound contains H-2 and H-3(-) molecular units and detached H-12 chains.
Following the discovery of high-temperature superconductivity in the La-H system, we studied the formation of new chemical compounds in the barium-hydrogen system at pressures from 75 to 173GPa. Using in situ generation of hydrogen from NH3BH3, we synthesized previously unknown superhydride BaH12 with a pseudocubic (fcc) Ba sublattice in four independent experiments. Density functional theory calculations indicate close agreement between the theoretical and experimental equations of state. In addition, we identified previously known P6/mmm-BaH2 and possibly BaH10 and BaH6 as impurities in the samples. Ab initio calculations show that newly discovered semimetallic BaH12 contains H-2 and H-3(-) molecular units and detached H-12 chains which are formed as a result of a Peierls-type distortion of the cubic cage structure. Barium dodecahydride is a unique molecular hydride with metallic conductivity that demonstrates the superconducting transition around 20K at 140GPa. Metallization of pure hydrogen via overlapping of electronic bands requires high pressure above 3 Mbar. Here the authors study the Ba-H system and discover a unique superhydride BaH12 that contains molecular hydrogen, which demonstrates metallic properties and superconductivity below 1.5 Mbar.
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