QQ客服 官方微博 反馈留言

	Unusually complex phase of dense nitrogen at extreme conditions
	Turnbull, Robin1,2; Hanfland, Michael3; Binns, Jack4; Martinez-Canales, Miguel1,2; Frost, Mungo1,2,5; Marques, Miriam1,2; Howie, Ross T.4; Gregoryanz, Eugene6
刊名	NATURE COMMUNICATIONS
	2018-11-09
卷号	9页码:6
ISSN号	2041-1723
DOI	10.1038/s41467-018-07074-4
通讯作者	Gregoryanz, Eugene(eugene@issp.ac.cn)
英文摘要	Nitrogen exhibits an exceptional polymorphism under extreme conditions, making it unique amongst the elemental diatomics and a valuable testing system for experiment-theory comparison. Despite attracting considerable attention, the structures of many high-pressure nitrogen phases still require unambiguous determination. Here, we report the structure of the elusive high-pressure high-temperature polymorph iota-N-2 at 56 GPa and ambient temperature, determined by single crystal X-ray diffraction, and investigate its properties using ab initio simulations. We find that iota-N-2 is characterised by an extraordinarily large unit cell containing 48 N-2 molecules. Geometry optimisation favours the experimentally determined structure and density functional theory calculations find iota-N-2 to have the lowest enthalpy of the molecular nitrogen polymorphs that exist between 30 and 60 GPa. The results demonstrate that very complex structures, similar to those previously only observed in metallic elements, can become energetically favourable in molecular systems at extreme pressures and temperatures.
资助项目	EPSRC[EP/P022561/1] ; EPSRC[EP/L504956/1] ; EPSRC[EP/M506515/1] ; EPSRC[EP/P020194] ; DOE FES[FWP100182] ; ERC grant Hecate
WOS关键词	CRYSTAL-STRUCTURE ; HIGH-PRESSURE ; POLYMERIC NITROGEN ; PRINCIPLES ; GPA
WOS研究方向	Science & Technology - Other Topics
语种	英语
出版者	NATURE PUBLISHING GROUP
WOS记录号	WOS:000449627800012
资助机构	EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; EPSRC ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; DOE FES ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate ; ERC grant Hecate
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/34482]
专题	合肥物质科学研究院_中科院固体物理研究所
通讯作者	Gregoryanz, Eugene
作者单位	1.Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh, Midlothian, Scotland 2.Univ Edinburgh, Sch Phys & Astron, Edinburgh, Midlothian, Scotland 3.European Synchrotron Radiat Facil, Grenoble, France 4.Ctr High Pressure Sci & Technol Adv Res, Shanghai, Peoples R China 5.SLAC Natl Accelerator Lab, Menlo Pk, CA USA 6.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei, Anhui, Peoples R China
推荐引用方式 GB/T 7714	Turnbull, Robin,Hanfland, Michael,Binns, Jack,et al. Unusually complex phase of dense nitrogen at extreme conditions[J]. NATURE COMMUNICATIONS,2018,9:6.
APA	Turnbull, Robin.,Hanfland, Michael.,Binns, Jack.,Martinez-Canales, Miguel.,Frost, Mungo.,...&Gregoryanz, Eugene.(2018).Unusually complex phase of dense nitrogen at extreme conditions.NATURE COMMUNICATIONS,9,6.
MLA	Turnbull, Robin,et al."Unusually complex phase of dense nitrogen at extreme conditions".NATURE COMMUNICATIONS 9(2018):6.

个性服务

查看访问统计

相关权益政策

暂无数据

收藏/分享

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。