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A stable compound of helium and sodium at high pressure

文献类型：期刊论文

作者Dong, Xiao1,2,3,4; Oganov, Artem R.4,5,6,7; Goncharov, Alexander F.8,9,10; Stavrou, Elissaios8,11; Lobanov, Sergey8,12; Saleh, Gabriele6; Qian, Guang-Rui4; Zhu, Qiang4; Gatti, Carlo13,14; Deringer, Volker L.15,16
刊名NATURE CHEMISTRY
出版日期2017-05-01
卷号9期号:5页码:440-445
DOI10.1038/NCHEM.2716
文献子类Article
英文摘要Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na2He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na-8 cubes. We also predict the existence of Na2HeO with a similar structure at pressures above 15 GPa.
WOS关键词X-RAY-DIFFRACTION ; PHASE-DIAGRAM ; DENSITY ; ELECTRIDES ; PRINCIPLES ; PREDICTION ; CRYSTALS ; ANIONS ; OXIDES ; STATE
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000399785500010
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源URL[http://ir.hfcas.ac.cn:8080/handle/334002/33389]  
专题合肥物质科学研究院_中科院固体物理研究所
作者单位1.Nankai Univ, Sch Phys, Tianjin 300071, Peoples R China
2.Nankai Univ, MOE Key Lab Weak Light Nonlinear Photon, Tianjin 300071, Peoples R China
3.Ctr High Pressure Sci & Technol Adv Res, Beijing 100193, Peoples R China
4.SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA
5.Skolkovo Inst Sci & Technol, 3 Nobel St, Moscow 143026, Russia
6.Moscow Inst Phys & Technol, 9 Inst Skiy Lane, Dolgoprudny City 141700, Moscow Region, Russia
7.Northwestern Polytech Univ, Int Ctr Mat Discovery, Xian 710072, Peoples R China
8.Carnegie Inst Sci, Geophys Lab, 5251 Broad Branch Rd, Washington, DC 20015 USA
9.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, 350 Shushanghu Rd, Hefei 230031, Anhui, Peoples R China
10.Chinese Acad Sci, Inst Solid State Phys, Ctr Energy Matter Extreme Environm, 350 Shushanghu Rd, Hefei 230031, Anhui, Peoples R China
推荐引用方式
GB/T 7714		 Dong, Xiao,Oganov, Artem R.,Goncharov, Alexander F.,et al. A stable compound of helium and sodium at high pressure[J]. NATURE CHEMISTRY,2017,9(5):440-445.
APA Dong, Xiao.,Oganov, Artem R..,Goncharov, Alexander F..,Stavrou, Elissaios.,Lobanov, Sergey.,...&Wang, Hui-Tian.(2017).A stable compound of helium and sodium at high pressure.NATURE CHEMISTRY,9(5),440-445.
MLA Dong, Xiao,et al."A stable compound of helium and sodium at high pressure".NATURE CHEMISTRY 9.5(2017):440-445.

入库方式： OAI收割

来源：合肥物质科学研究院

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