Noncentrosymmetric versus Centrosymmetric: Influence of the Na+ Substitution on Structural Transition and Second-Harmonic Generation Property

CORC > 新疆理化技术研究所 > 中国科学院新疆理化技术研究所 > 中国科学院特殊环境功能材料与器件重点试验室

	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
刊名	CRYSTAL GROWTH & DESIGN
	2014
卷号	14 期号:4 页码:1794-1801
ISSN号	15287483
通讯作者	Pan, SL
英文摘要	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.
收录类别	SCI
WOS记录号	WOS:000333948000035
公开日期	2014-11-11
内容类型	期刊论文
源URL	[http://ir.xjipc.cas.cn/handle/365002/3795]
专题	新疆理化技术研究所_中国科学院特殊环境功能材料与器件重点试验室新疆理化技术研究所_材料物理与化学研究室
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
推荐引用方式 GB/T 7714	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.,...&Bai, Chunyan.(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.