Superionicity, disorder, and bandgap closure in dense hydrogen chloride

doi:10.1126/sciadv.abi9507

	Superionicity, disorder, and bandgap closure in dense hydrogen chloride
	Binns, Jack 3,4; Hermann, Andreas 1,2; Pena-Alvarez, Miriam 1,2; Donnelly, Mary-Ellen 3; Wang, Mengnan 3; Kawaguchi, Saori Imada 6; Gregoryanz, Eugene 1,2,3,5; Howie, Ross T.3; Dalladay-Simpson, Philip 3
刊名	SCIENCE ADVANCES
	2021-09-01
卷号	7
ISSN号	2375-2548
DOI	10.1126/sciadv.abi9507
通讯作者	Hermann, Andreas(a.hermann@ed.ac.uk) ; Dalladay-Simpson, Philip(philip.dalladay-simpson@hpstar.ac.cn)
英文摘要	Hydrogen bond networks play a crucial role in biomolecules and molecular materials such as ices. How these networks react to pressure directs their properties at extreme conditions. We have studied one of the simplest hydrogen bond formers, hydrogen chloride, from crystallization to metallization, covering a pressure range of more than 2.5 million atmospheres. Following hydrogen bond symmetrization, we identify a previously unknown phase by the appearance of new Raman modes and changes to x-ray diffraction patterns that contradict previous predictions. On further compression, a broad Raman band supersedes the well-defined excitations of phase V, despite retaining a crystalline chlorine substructure. We propose that this mode has its origin in proton (H+) mobility and disorder. Above 100 GPa, the optical bandgap closes linearly with extrapolated metallization at 240(10) GPa. Our findings suggest that proton dynamics can drive changes in these networks even at very high densities.
资助项目	1000 Young Talents awards ; Top 1000 Talents award ; National Natural Science Foundation of China (NSFC)[11974034] ; European Research Council (ERC)[695527] ; FLF Award[MR/T043733/1] ; EPSRC[EP/P022561/1] ; EPSRC[EP/P020194]
WOS关键词	X-RAY-DIFFRACTION ; BOND SYMMETRIZATION ; CRYSTAL-STRUCTURE ; PHASE-TRANSITION ; AMMONIA ; RAMAN ; WATER ; ICE ; SYSTEM
WOS研究方向	Science & Technology - Other Topics
语种	英语
出版者	AMER ASSOC ADVANCEMENT SCIENCE
WOS记录号	WOS:000695711400033
资助机构	1000 Young Talents awards ; Top 1000 Talents award ; National Natural Science Foundation of China (NSFC) ; European Research Council (ERC) ; FLF Award ; EPSRC
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/125351]
专题	中国科学院合肥物质科学研究院
通讯作者	Hermann, Andreas; Dalladay-Simpson, Philip
作者单位	1.Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3JZ, Midlothian, Scotland 2.Univ Edinburgh, Sch Phys, Edinburgh EH9 3JZ, Midlothian, Scotland 3.Ctr High Pressure Sci & Technol Adv Res, 1690 Cailun Rd, Shanghai 201203, Peoples R China 4.RMIT Univ, Sch Sci, Melbourne, Vic 3000, Australia 5.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei, Peoples R China 6.Japan Synchrotron Radiat Res Inst JASRI, Sayo, Hyogo 6795198, Japan
推荐引用方式 GB/T 7714	Binns, Jack,Hermann, Andreas,Pena-Alvarez, Miriam,et al. Superionicity, disorder, and bandgap closure in dense hydrogen chloride[J]. SCIENCE ADVANCES,2021,7.
APA	Binns, Jack.,Hermann, Andreas.,Pena-Alvarez, Miriam.,Donnelly, Mary-Ellen.,Wang, Mengnan.,...&Dalladay-Simpson, Philip.(2021).Superionicity, disorder, and bandgap closure in dense hydrogen chloride.SCIENCE ADVANCES,7.
MLA	Binns, Jack,et al."Superionicity, disorder, and bandgap closure in dense hydrogen chloride".SCIENCE ADVANCES 7(2021).