Synthesis and characterization of XeAr<sub>2</sub> under high pressure

doi:10.1063/5.0158742

	Synthesis and characterization of XeAr₂ under high pressure
	Wang, Mengnan 4,5; Kuzovnikov, Mikhail A.4,5; Binns, Jack 3; Li, Xiaofeng 2; Pena-Alvarez, Miriam 4,5; Hermann, Andreas 4,5; Gregoryanz, Eugene 1,3,4,5; Howie, Ross T.3,4,5
刊名	JOURNAL OF CHEMICAL PHYSICS
	2023-10-07
卷号	159
ISSN号	0021-9606
DOI	10.1063/5.0158742
通讯作者	Howie, Ross T.(ross.howie@ed.ac.uk)
英文摘要	The binary Xe-Ar system has been studied in a series of high pressure diamond anvil cell experiments up to 60 GPa at 300 K. In-situ x-ray powder diffraction and Raman spectroscopy indicate the formation of a van der Waals compound, XeAr2, at above 3.5 GPa. Powder x-ray diffraction analysis demonstrates that XeAr2 adopts a Laves MgZn2-type structure with space group P6(3)/mmc and cell parameters a = 6.595 angstrom and c = 10.716 angstrom at 4 GPa. Density functional theory calculations support the structure determination, with agreement between experimental and calculated Raman spectra. Our DFT calculations suggest that XeAr2 would remain stable without a structural transformation or decomposition into elemental Xe and Ar up to at least 80 GPa.
资助项目	M.P.-A. acknowledges the support of the UKRI Future Leaders Fellowship No. Mrc-Mr/T043733/1. R.T.H. acknowledges that the project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation[948895] ; M.P.-A. acknowledges the support of the UKRI Future Leaders Fellowship No. Mrc-Mr/T043733/1. R.T.H. acknowledges that the project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation[I-20191366] ; European Research Council (ERC) under the European Union[EP/X035891/1] ; UK's National Supercomputer Service through the UK Car-Parrinello HEC consortium
WOS关键词	EQUATION-OF-STATE ; XENON ; STABILITY ; PHASE ; METALLIZATION ; CALIBRATION ; HYDROGEN ; PROGRAM ; ARGON
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	AIP Publishing
WOS记录号	WOS:001083796400003
资助机构	M.P.-A. acknowledges the support of the UKRI Future Leaders Fellowship No. Mrc-Mr/T043733/1. R.T.H. acknowledges that the project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation ; European Research Council (ERC) under the European Union ; UK's National Supercomputer Service through the UK Car-Parrinello HEC consortium
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/133387]
专题	中国科学院合肥物质科学研究院
通讯作者	Howie, Ross T.
作者单位	1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei, Peoples R China 2.Luoyang Normal Univ, Coll Phys & Elect Informat, Luoyang, Peoples R China 3.Ctr High Pressure Sci & Technol Adv Res, Shanghai, Peoples R China 4.Univ Edinburgh, Sch Phys & Astron, Edinburgh, Scotland 5.Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh, Scotland
推荐引用方式 GB/T 7714	Wang, Mengnan,Kuzovnikov, Mikhail A.,Binns, Jack,et al. Synthesis and characterization of XeAr₂ under high pressure[J]. JOURNAL OF CHEMICAL PHYSICS,2023,159.
APA	Wang, Mengnan.,Kuzovnikov, Mikhail A..,Binns, Jack.,Li, Xiaofeng.,Pena-Alvarez, Miriam.,...&Howie, Ross T..(2023).Synthesis and characterization of XeAr₂ under high pressure.JOURNAL OF CHEMICAL PHYSICS,159.
MLA	Wang, Mengnan,et al."Synthesis and characterization of XeAr₂ under high pressure".JOURNAL OF CHEMICAL PHYSICS 159(2023).