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题名: A Nitrate Nonlinear Optical Crystal Pb-16(OH)(16)(NO3)(16) with a Large Second-Harmonic Generation Response
作者: Chang, Lixian; Wang, Li; Su, Xin; Pan, Shilie; Hailili, Reshalaiti; Yu, Hongwei; Yang, Zhihua
刊名: INORGANIC CHEMISTRY
发表日期: 2014
DOI: 10.1021/ic402404a
卷: 53, 期:7, 页:3320-3325
收录类别: SCI
摘要: A noncentrosymmetric nitrate, Pb-16(OH)(16)(NO3)(16), has been obtained using a hydrothermal method. It is constructed of [Pb-4(OH)(4)](4+) cubanes and nitrate form the overall three-dimensional structure via weak Pb-O bonds. Powder second-harmonic generation (SHG) using the Kurtz-Perry technique shows that Pb-16(OH)(16)(NO3)(16) is type I phase-matchable, and the measured SHG coefficient was 3.5 times that of KH2PO4. The direction and magnitude of the dipole moments in PbOn polyhedra and [NO3](-) triangles of Pb-16(OH)(16)(NO3)(16) have been quantified using the bond-valence approach, which shows that the large SHG response originates from the cooperation of PbOn polyhedra and [NO3](-) triangles. The band structure and density of states as well as electron density difference are calculated on the basis of density functional theory.
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内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/3790
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: Xinjiang Normal Univ, Coll Chem & Chem Engn, Urumqi 830054, Peoples R China;Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China

Recommended Citation:
Chang, Lixian,Wang, Li,Su, Xin,et al. A Nitrate Nonlinear Optical Crystal Pb-16(OH)(16)(NO3)(16) with a Large Second-Harmonic Generation Response[J]. INORGANIC CHEMISTRY,2014,53(7):3320-3325.
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文件名: A Nitrate Nonlinear Optical Crystal Pb-16(OH)(16)(NO3)(16) with a Large Second-Harmonic Generation Response .pdf
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