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题名: Noncentrosymmetric versus Centrosymmetric: Influence of the Na+ Substitution on Structural Transition and Second-Harmonic Generation Property
作者: Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan
通讯作者: Pan, SL
刊名: Crystal Growth and Design
发表日期: 2014
DOI: 10.1021/cg4019103
卷: 14, 期:4, 页:1794-1801
收录类别: SCI
摘要: A series of K3-xNaxB6O10Br (0.5 ≤ x ≤ 1.2) polycrystalline samples have been synthesized by the standard solid-state reaction method. Four stoichiometric crystals K3-xNa xB6O10Br (x = 0.13, 0.67, 1.30, 2.20) have been successfully grown from the high-temperature solution, and the crystal structures were determined by single-crystal X-ray diffraction. Interestingly, the Na+ concentration plays a profound role to influence the crystal structure. Up to about 23% (x = 0.7) K+ ions can be substituted by Na+ ions with the same noncentrosymmetric (NCS) crystal structure of K3B6O10Br (space group R3m) being retained, while a higher Na concentration would lead to it crystallizing in the centrosymmetric (CS) space group Pnma. Meanwhile, the second-harmonic generation (SHG) response of K3-xNaxB6O10Br (x ≤ 0.7) is about 2.8 times that of KDP, while the SHG response decreases sharply when x > 0.7 (the SHG response is zero at x = 1.3). After careful structural analysis, we believe that the different Br-M (M = K/Na, K, or Na) lattices, which are influenced by the coordination environments of the cations, are responsible for the structural changes from NCS to CS.
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内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/3795
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: Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics and Chemistry of CAS, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011, China

Recommended Citation:
Han, Shujuan,Wang, Ying,Pan, Shilie,et al. Noncentrosymmetric versus Centrosymmetric: Influence of the Na+ Substitution on Structural Transition and Second-Harmonic Generation Property[J]. Crystal Growth and Design,2014,14(4):1794-1801.
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