Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi2ZnOB2O6

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题名:	Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi2ZnOB2O6
作者:	Su, Xin;Wang, Ying;Yang, Zhi-hua;Huang, Xu-Chu;Pan, Shilie;Li, Feng;Lee, Ming-Hsien
贡献者:	淡江大學物理學系
日期:	2013-06-05
上传时间:	2014-03-14 05:00:29 (UTC+8)
出版者:	Washington DC: American Chemical Society
摘要:	A large single crystal of a nonlinear optical material Bi2ZnOB2O6 (BZB) has been grown by the Czochralski method. The experiments of linear and nonlinear optical property were performed. On the basis of the density functional theory (DFT), the first-principles calculations have been employed to study the structural and electronic properties of BZB successfully. The calculated results are essentially consistent with the corresponding experimental results. In addition, to gain further insight into the structure–property relationship, a real-space atom-cutting method was adopted to analyze the origin of the nonlinear optical response of BZB for the first time. The results indicate that the contributions of the (BiO6)9– and (B2O5)4– groups are dominant in the BZB crystal for producing large microscopic second-order susceptibilities.
關聯:	Journal of Physical Chemistry C 117(27), pp.14149–14157
DOI:	10.1021/jp4013448
显示于类别:	[物理學系暨研究所] 期刊論文

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