Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi2ZnOB2O6
Su Xin; Wang Ying; Yang Zhihua; Huang Xu-Chu; Pan Shilie; Li Feng; Lee Ming-Hsien
2013
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
Volume117Issue:27Pages:14149-14157
Abstract

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.

Subject AreaChemistry ; Science & Technology - Other Topics ; Materials Science
DOI10.1021/jp4013448
Indexed BySCI
WOS IDWOS:000321883600044
Citation statistics
Cited Times:41[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/2645
Collection中国科学院特殊环境功能材料与器件重点试验室
材料物理与化学研究室
Corresponding AuthorYang Zhihua
Affiliation1.Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China
2.Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.Tamkang Univ, Dept Phys, Taipei 25137, Taiwan
Recommended Citation
GB/T 7714
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.
APA Su Xin.,Wang Ying.,Yang Zhihua.,Huang Xu-Chu.,Pan Shilie.,...&Lee Ming-Hsien.(2013).Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi2ZnOB2O6.JOURNAL OF PHYSICAL CHEMISTRY C,117(27),14149-14157.
MLA Su Xin,et al."Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi2ZnOB2O6".JOURNAL OF PHYSICAL CHEMISTRY C 117.27(2013):14149-14157.
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