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学科主题: Chemistry ; Science & Technology - Other Topics ; Materials Science
题名: Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi2ZnOB2O6
作者: Su Xin; Wang Ying; Yang Zhihua; Huang Xu-Chu; Pan Shilie; Li Feng; Lee Ming-Hsien
通讯作者: Yang, ZH
刊名: JOURNAL OF PHYSICAL CHEMISTRY C
发表日期: 2013
DOI: 10.1021/jp4013448
卷: 117, 期:27, 页:14149-14157
收录类别: SCI
英文摘要: A large single crystal of a nonlinear optical material Bi2ZnOB2O6 (BZB) has been grown by the Czochralski method. l'he experiments of linear and nonlinear optical property were performed. On the basis of the density function 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 nf the (BiO6)(9-) and (B2O5)(4-) groups are dominant in the BZB crystal for producing large microscopic second-order susceptibilities.
WOS记录号: WOS:000321883600044
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内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/2645
Appears in Collections:中国科学院特殊环境功能材料与器件重点试验室_期刊论文

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作者单位: Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China;Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China;Tamkang Univ, Dept Phys, Taipei 25137, Taiwan

Recommended Citation:
Su Xin,Wang Ying,Yang Zhihua,et al. Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi2ZnOB2O6[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2013,117(27):14149-14157.
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文件名: Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi2ZnOB2O6.pdf
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