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		题名	作者	年代	出处	被引量
	1	Energy Band-gap Calculation of d-Ta_2O_5 Using sX-LDA and B3LYP Methods显示文摘The energy band-gap and related factors of tantalum pentoxide with hexagonal phase were investigated using hybrid functional B3 LYP and s X-LDA methods. The results showed that both s X-LDA and B3 LYP techniques reveal the indirect semiconductor nature of δ-Ta2O5, whereas the obtained value of energy band-gap is much higher than previous theoretical reports but closer to the experimental data. The optical bandgap of δ-Ta2O5 is expected to originate from the O 2p→Ta 5d transition which may benefit from the d-s-p hybridization.	张光磊 GUO Xiaoyu LI Xuewen QIN Guoqiang FU Hua	2015	Journal of Wuhan University of Technology(Materials Science)2015，30，1：	0

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