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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
资助者: "Western Light Joint Scholar Foundation" Program of Chinese Academy of Sciences LHXZ201101; National Natural Science Foundation of China 11104344, U1129301, 51172277, 21101168; National Key Basic Research Program of China 2012CB626803; Main Direction Program of Knowledge Innovation of Chinese Academy of Sciences KJCX2-EW-H03-03; "One Hundred Talents Project Foundation Program" of the Chinese Academy of Sciences; National "One Thousand Youth Talents Project Foundation Program" (The Recruitment Program of Xinjiang Special Program on Global Experts for Young Scholar); Major Program of Xinjiang Uygur Autonomous Region of China during the 12th Five-Year Plan Period 201130111; "High Technology Research and Development Program" of Xinjiang Uygur Autonomous Region of China 201116143
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.
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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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