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	Study on band structure of YbB6 and analysis of its optical conductivity spectrum
	Jun, Jiang; Jiang, Bian; Li Lemin
刊名	JOURNAL OF RARE EARTHS
	2007-12-01
卷号	25期号:6页码:654-664
关键词	Ybb6 Band Structure Optical Conductivity Energy-loss Function Spectrum Assignment Rare Earths
ISSN号	1002-0721
英文摘要	The electronic structure of YbB6 crystal was studied by means of density functional (GGA + U) method. The calculations were performed by FLAPW method. The high accurate band structure was achieved. The correlation between the feature of the band structure and the Yb-B6 bonding in YbB6 was analyzed. On this basis, some optical constants of YbB6 Such as reflectivity, dielectric function, optical conductivity, and energy-loss function were calculated. The results are in good agreement with the experiments. The real part of the optical conductivity spectrum and the energy-loss function spectrum were analyzed in detail. The assignments of the spectra were carried out to correlate the spectral peaks with the interband electronic transitions, which justify the reasonable part of previous empirical assignments and renew the missed or incorrect ones.
语种	英语
出版者	METALLURGICAL INDUSTRY PRESS
WOS记录号	WOS:000252410000002
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/60335]
专题	中国科学院化学研究所
通讯作者	Li Lemin
作者单位	Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China
推荐引用方式 GB/T 7714	Jun, Jiang,Jiang, Bian,Li Lemin. Study on band structure of YbB6 and analysis of its optical conductivity spectrum[J]. JOURNAL OF RARE EARTHS,2007,25(6):654-664.
APA	Jun, Jiang,Jiang, Bian,&Li Lemin.(2007).Study on band structure of YbB6 and analysis of its optical conductivity spectrum.JOURNAL OF RARE EARTHS,25(6),654-664.
MLA	Jun, Jiang,et al."Study on band structure of YbB6 and analysis of its optical conductivity spectrum".JOURNAL OF RARE EARTHS 25.6(2007):654-664.

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