Study on band structure of YbB6 and analysis of its optical conductivity   spectrum

doi:10.1016/S1002-0721(08)60002-2

CORC > 北京大学 > 化学与分子工程学院

	Study on band structure of YbB6 and analysis of its optical conductivity spectrum
	Jun, Jiang ; Jiang, Bian ; Li Lemin
刊名	中国稀土学报英文版
	2007
关键词	YbB6 band structure optical conductivity energy-loss function spectrum assignment rare earths RARE-EARTH HEXABORIDES ELECTRONIC-STRUCTURE
DOI	10.1016/S1002-0721(08)60002-2
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.; Chemistry, Applied; SCI(E); 中国科技核心期刊(ISTIC); 0; ARTICLE; 6; 654-664; 25
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/151576]
专题	化学与分子工程学院
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]. 中国稀土学报英文版,2007.
APA	Jun, Jiang,Jiang, Bian,&Li Lemin.(2007).Study on band structure of YbB6 and analysis of its optical conductivity spectrum.中国稀土学报英文版.
MLA	Jun, Jiang,et al."Study on band structure of YbB6 and analysis of its optical conductivity spectrum".中国稀土学报英文版 (2007).