Synthesis and optical properties of the first lead borate bromide with isolated BO3 groups:Pb2Ba3(BO3)3Br

摘要：

　　The single crystals of a new compound Pb2Ba3(BO3)3Br has been grown by the spontaneous crystallization method.It crystallizes in the noncentrosymmetric orthorhombic space group C2221 with isolated BO3 triangles and distorted PbO polyhedra.UV-Vis-NIR diffused reflectance spectroscopy measurements indicate that the absorption edge is at 326 nm.Second-harmonic generation(SHG)measurements using 1064 nm radiation show that Pb2Ba3(BO3)3Br exhibits about 3.1 × that of KH2PO4(KDP)and is type I phase-matchable.First-principles electronic structure calculations show that the isolated BO3 groups and PbO4 polyhedra play an important role to the total SHG response.

作者: Qun Jing Xiaoyu Dong Zhihua Yang Shilie Pan

作者单位: Key Laboratory of Functional Materials and Devices for Special Environments of CAS,Xinjiang Technica Key Laboratory of Functional Materials and Devices for Special Environments of CAS,Xinjiang Technica Key Laboratory of Functional Materials and Devices for Special Environments of CAS,Xinjiang Technica

会议类型: 国内会议

会议名称: 第八届国际分子模拟与信息技术应用学术会议

会议地点: 大连

会议语种:英文

页码: 755-763

在线出版日期: 2016-09-24（万方平台首次上网日期，不代表论文的发表时间）