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	EuB6的光电导率和能量损失函数谱的理论指认; Theoretical Assignments of the Optical Conductivity and Energy-loss Function Spectra of EuB6
	姜骏 ; 卞江 ; 黎乐民
	2008
关键词	EuB6 EuB6 optical conductivity energy-loss function spectral assignment 光电导率 能量损失函数 谱指认
英文摘要	基于更高精度的能带结构计算结果,计算EuB6的光电导率和能量损失函数谱,结果与实验一致.通过具体计算找出在0-40 eV能量区间内所有可能发生的能带间电子跃迁,在第一布里渊区中发生跃迁的区域和跃迁概率,得到了各电子跃迁的始态和末态的单电子波函数.利用计算结果详细分析了光电导率和能量损失函数各谱峰与能带间电子跃迁的联系.在此基础上对实验测得的谱峰作出指认,证实了Kimura等人根据实验结果所作经验指认的合理部分,指出其中一些不准确的指认,并补充了他们没有考虑到的一些对谱峰有重要贡献的电子跃迁.; On the basis of the calculated band structure of EuB6 with a higher accuracy, the optical conductivity and energy-loss function spectra were calculated, and the results were in good agreement with the experiments. All possible interband electronic transitions, the (k) over right arrow points in the first Brillouin zone where the transitions took place, and the transition probability were figured out through specific calculations. The wave functions of the initial and final states related to individual transitions were obtained as well. The calculated results were used to analyze, indetail, the correlation between the spectral peaks and the interband electronic transitions. On the basis of this, the experimental spectra were assigned, confirming the reasonable part of the empirical assignments given by Kimura et al. and pointing out the inaccurate part, and also supplying some electronic transitions, which made an important contribution to the spectral peaks, but had not been considered by Kimura et al.; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000252650300001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; SCI(E); 中文核心期刊要目总览(PKU); 中国科技核心期刊(ISTIC); 中国科学引文数据库(CSCD); 0; 1; 1-7; 24
语种	中文
出处	SCI ; 万方 ; http://d.g.wanfangdata.com.cn/Periodical_wlhxxb200801001.aspx
出版者	物理化学学报
内容类型	其他
源URL	[http://hdl.handle.net/20.500.11897/80461]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	姜骏,卞江,黎乐民. EuB6的光电导率和能量损失函数谱的理论指认, Theoretical Assignments of the Optical Conductivity and Energy-loss Function Spectra of EuB6. 2008-01-01.

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