Ba4Bi2(Si8-xB4+xO29) (x=0.09): a new acentric metal borosilicate as a promising nonlinear optical material

doi:10.1039/c8sc04342f

	Ba4Bi2(Si8-xB4+xO29) (x=0.09): a new acentric metal borosilicate as a promising nonlinear optical material
	Tang, Ru-Ling1,2,3 ; Hu, Chun-Li 1; Mao, Fei-Fei 1; Feng, Jiang-He 1; Mao, Jiang-Gao1
	2019-01-21
发表期刊	CHEMICAL SCIENCE
ISSN	2041-6520
卷号	10 期号:3 页码:837-842
发表状态	已发表
DOI	10.1039/c8sc04342f
摘要	A new acentric metal borosilicate, namely Ba4Bi2(Si8-xB4+xO29) (x = 0.09), has been synthesized by a standard solid-state reaction. The title compound crystallizes in noncentrosymmetric (NCS) space group I (4) over bar 2m with lattice parameters a = 11.0254(4) angstrom and c = 10.3961(9) angstrom. Structure refinements indicate that mixing of B atoms and Si atoms exists for a few atomic sites. In the "ideal" Ba4Bi2(Si8B4O29), BO4 or SiO4 tetrahedra are inter-connected by corner-sharing to cyclic B4O12 or Si4O12 units. These B4O12 and Si4O12 units are further interconnected via corner-sharing to an "ideal" [Si8B4O29](14-) 3D network. The Ba2+ and Bi3+ act as the counter cations and are located at the cavities of the structure. Ba4Bi2(Si8-xB4+xO29) (x = 0.09) melts incongruently at a high temperature of 929 degrees C. Powder secondharmonic generation (SHG) measurements reveal that Ba4Bi2(Si8-xB4+xO29) (x = 0.09) is a type I phasematching compound with a good SHG response of about 5.1 times that of KDP (KH2PO4), which is the highest among the borosilicates reported so far. The SHG source has been studied by DFT theoretical calculations. Our preliminary results indicate that Ba4Bi2(Si8-xB4+xO29) (x = 0.09) is a new second-order nonlinear-optical crystalline material candidate.
收录类别	SCI ; SCIE ; EI
语种	英语
资助项目	Strategic Priority Research Program of the Chinese Academy of Sciences[XDB20000000]
WOS研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000457304200021
出版者	ROYAL SOC CHEMISTRY
EI入藏号	20190406404068
EI主题词	Atoms ; Barium compounds ; Bismuth compounds ; Crystal atomic structure ; Crystalline materials ; Harmonic generation ; Nonlinear optics ; Optical materials ; Phase matching ; Solid state reactions
EI分类号	Electronic Circuits:713 ; Nonlinear Optics:741.1.1 ; Optical Devices and Systems:741.3 ; Chemical Reactions:802.2 ; Atomic and Molecular Physics:931.3 ; Crystalline Solids:933.1
WOS关键词	2ND-HARMONIC GENERATION ; BOROGERMANATE ; CRYSTAL ; RB ; PYROELECTRICITY ; TEMPERATURE
原始文献类型	Article
引用统计
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/28199
专题	物质科学与技术学院_特聘教授组_毛江高组物质科学与技术学院_博士生
通讯作者	Mao, Jiang-Gao
作者单位	1.Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China 2.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
第一作者单位	物质科学与技术学院
推荐引用方式 GB/T 7714	Tang, Ru-Ling,Hu, Chun-Li,Mao, Fei-Fei,et al. Ba4Bi2(Si8-xB4+xO29) (x=0.09): a new acentric metal borosilicate as a promising nonlinear optical material[J]. CHEMICAL SCIENCE,2019,10(3):837-842.
APA	Tang, Ru-Ling,Hu, Chun-Li,Mao, Fei-Fei,Feng, Jiang-He,&Mao, Jiang-Gao.(2019).Ba4Bi2(Si8-xB4+xO29) (x=0.09): a new acentric metal borosilicate as a promising nonlinear optical material.CHEMICAL SCIENCE,10(3),837-842.
MLA	Tang, Ru-Ling,et al."Ba4Bi2(Si8-xB4+xO29) (x=0.09): a new acentric metal borosilicate as a promising nonlinear optical material".CHEMICAL SCIENCE 10.3(2019):837-842.