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  4. 中科院固体物理研究所
Hexagonal structure of phase III of solid hydrogen

文献类型：期刊论文

作者Monserrat, Bartomeu1,2; Needs, Richard J.2; Gregoryanz, Eugene3,4,5; Pickard, Chris J.6,7
刊名PHYSICAL REVIEW B
出版日期2016-10-03
卷号94期号:13页码:1-7
DOI10.1103/PhysRevB.94.134101
文献子类Article
英文摘要A hexagonal structure of solid molecular hydrogen with P6(1)22 symmetry is calculated to be more stable below about 200 GPa than the monoclinic C2/c structure identified previously as the best candidate for phase III. We find that the effects of nuclear quantum and thermal vibrations play a central role in the stabilization of P6(1)22. The P6(1)22 and C2/c structures are very similar and their Raman and infrared data are in good agreement with experiment. However, our calculations show that the hexagonal P6(1)22 structure provides better agreement with the available x-ray diffraction data than the C2/c structure at pressures below about 200 GPa. We suggest that two phase-III-like structures may be formed at high pressures: hexagonal P6(1)22 below about 200 GPa and monoclinic C2/c at higher pressures.
WOS关键词BROKEN SYMMETRY PHASE ; X-RAY-DIFFRACTION ; MOLECULAR-HYDROGEN ; DENSE HYDROGEN ; ULTRAHIGH-PRESSURE ; MEGABAR PRESSURES ; EXTREME PRESSURES ; QUANTUM ; DEUTERIUM ; APPROXIMATION
WOS研究方向Physics
语种英语
WOS记录号WOS:000384469800001
资助机构Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1) ; Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Robinson College, Cambridge ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Cambridge Philosophical Society ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Engineering and Physical Sciences Research Council (EPSRC) of the United Kingdom(EP/J017639/1 ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; Royal Society through a Royal Society Wolfson Research Merit award ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EPSRC Grant(EP/K014560/1) ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/J003999/1 ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1) ; EP/K013688/1)
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/22087]  
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.Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA
2.Univ Cambridge, Cavendish Lab, TCM Grp, JJ Thomson Ave, Cambridge CB3 0HE, England
3.Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3JZ, Midlothian, Scotland
4.Univ Edinburgh, Sch Phys & Astron, Edinburgh EH9 3JZ, Midlothian, Scotland
5.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China
6.Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, Cambridge CB3 0FS, England
7.Tohoku Univ, Adv Inst Mat Res, Aoba Ku, 2-1-1 Katahira, Sendai, Miyagi 9808577, Japan
推荐引用方式
GB/T 7714		 Monserrat, Bartomeu,Needs, Richard J.,Gregoryanz, Eugene,et al. Hexagonal structure of phase III of solid hydrogen[J]. PHYSICAL REVIEW B,2016,94(13):1-7.
APA Monserrat, Bartomeu,Needs, Richard J.,Gregoryanz, Eugene,&Pickard, Chris J..(2016).Hexagonal structure of phase III of solid hydrogen.PHYSICAL REVIEW B,94(13),1-7.
MLA Monserrat, Bartomeu,et al."Hexagonal structure of phase III of solid hydrogen".PHYSICAL REVIEW B 94.13(2016):1-7.

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