Noncentrosymmetric versus Centrosymmetric: Influence of the Na+ Substitution on Structural Transition and Second-Harmonic Generation Property
Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan; Pan, SL
2014
发表期刊CRYSTAL GROWTH & DESIGN
ISSN15287483
卷号14期号:4页码:1794-1801
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.
DOI10.1021/cg4019103
收录类别SCI
WOS记录号WOS:000333948000035
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被引频次:26[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/3795
专题中国科学院特殊环境功能材料与器件重点试验室
通讯作者Pan, SL
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
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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 & DESIGN,2014,14(4):1794-1801.
APA Han, Shujuan.,Wang, Ying.,Pan, Shilie.,Dong, Xiaoyu.,Wu, Hongping.,...&Pan, SL.(2014).Noncentrosymmetric versus Centrosymmetric: Influence of the Na+ Substitution on Structural Transition and Second-Harmonic Generation Property.CRYSTAL GROWTH & DESIGN,14(4),1794-1801.
MLA Han, Shujuan,et al."Noncentrosymmetric versus Centrosymmetric: Influence of the Na+ Substitution on Structural Transition and Second-Harmonic Generation Property".CRYSTAL GROWTH & DESIGN 14.4(2014):1794-1801.
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