Sn2B5O9Br as an Outstanding Bifunctional Material with Strong Second-Harmonic Generation Effect and Large Birefringence

被引：69

作者：

Guo, Jingyu ^{[1
,2
]}

Cheng, Shichao ^{[1
]}

Han, Shujuan ^{[1
,2
]}

Yang, Zhihua ^{[1
,2
]}

Pan, Shilie ^{[1
,2
]}

机构：

[1] Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, CAS Key Lab Funct Mat & Devices Special Environm, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China

[2] Univ Chinese Acad Sci, Ctr Mat Sci & Optoelect Engn, Beijing 100049, Peoples R China

来源：

ADVANCED OPTICAL MATERIALS | 2021年 / 9卷 / 05期

基金：

中国国家自然科学基金;

关键词：

birefringent materials; nonlinear optical materials; stereochemical activity lone pairs; tin borate bromine; NONLINEAR-OPTICAL CRYSTAL; GENERALIZED GRADIENT APPROXIMATION; HIGH-PRESSURE SYNTHESIS; BORATE; HILGARDITE; HALIDES; SOLIDS; DESIGN; GROWTH; COHP;

D O I：

10.1002/adom.202001734

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The first tin (II) borate bromide, Sn2B5O9Br (SBOB), as an outstanding bifunctional material with excellent linear and nonlinear optical (NLO) performance is synthesized successfully. As far as it is known, it exhibits the largest birefringence among the reported borates (0.439 at 546 nm), even over famous birefringent materials YVO4 and TiO2. Meanwhile, it also owns a strong second harmonic generation (SHG) response of 2.4 times that of KH2PO4. Theoretical calculations display that its incredible optical properties mainly originate from the extremely intensive stereochemical activity lone pair (SCALP) of [SnO7Br2] polyhedra, which results in the enhancement of birefringence and SHG response, increasing to 2.6- and 4.8-fold, respectively, from Sn2B5O9Cl (SBOC) to SBOB. These perceptions will guide and accelerate the exploration of excellent birefringence and NLO materials in tin (II)-based compound.

引用

页数：6

共 72 条

[1] NEW STRONTIUM BORATE HALIDES - SR5(BO3)3X (X = F, BR) [J].