Pb2TiOF(SeO3)2Cl and Pb2NbO2(SeO3)2Cl: small changes in structure induced a very large SHG enhancement

被引：103

作者：

Cao, Xue-Li ^{[1
]}

Hu, Chun-Li ^{[1
]}

Xu, Xiang ^{[1
]}

Kong, Fang ^{[1
]}

Mao, Jiang-Gao ^{[1
]}

机构：

[1] Chinese Acad Sci Fujian, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China

来源：

CHEMICAL COMMUNICATIONS | 2013年 / 49卷 / 85期

基金：

中国国家自然科学基金;

关键词：

NONLINEAR-OPTICAL MATERIAL; BOND-VALENCE PARAMETERS; 2ND-HARMONIC GENERATION; CRYSTAL-STRUCTURE; METAL SELENITES; POLAR MATERIAL; IODATE; TELLURITE; FRAMEWORK; CATIONS;

D O I：

10.1039/c3cc45747h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The replacement of NbO6 octahedra in Pb2NbO2(SeO3)(2)Cl by the TiO5F octahedra in Pb2TiOF(SeO3)(2)Cl induced a very large SHG enhancement from 2.3 x to 9.6 x KDP (KH2PO4), and both materials are type-I phase matchable. Theoretical calculations based on DFT methods indicate that the inclusion of F- anions in the d(0)-TM octahedral coordination unit has a great impact on the band structure and the SHG enhancement of the material.

引用

页码：9965 / 9967

页数：3

共 46 条

[1]

[Anonymous], 1998, SHELXTL CRYSTALLOGRA

[2]

[Anonymous], 1999, CRYST VERS 1 3 5

[3]

Becker P, 1998, ADV MATER, V10, P979, DOI 10.1002/(SICI)1521-4095(199809)10:13<979::AID-ADMA979>3.0.CO

[4]

2-N