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Pb2BO3Br: A Novel Nonlinear Optical Lead Borate Bromine with KBBF-type Structure Exhibiting Strong Nonlinear Optical Response

Abstract

A potential ultraviolet (UV) nonlinear optical (NLO) material, Pb2BO3Br, has been successfully synthesized by the mild hydrothermal method. It crystallizes in the trigonal polar NCS space group P321 with lattice parameters a = 4.9601(8) Å, c = 6.733(2) Å, v = 143.46(6) Å3 and Z = 1. The title compound with KBBF-type structure consists of honeycomb-like [Pb2BO3] layer and Br anions. The UV-Vis-NIR diffused reflectance spectroscopy revealed that Pb2BO3Br exhibits wide transparent regions from UV to near IR. The powder second harmonic generation (SHG) test showed that it is phase-matchable in the visible region and features a remarkable SHG effect of about 9.5 times that of KDP. In addition, the electronic structure calculations indicated that the prominent macroscopic SHG response of Pb2BO3Br mainly derived from the [BO3]3- trigonal-planar groups and distorted PbO3 polyhedra.

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Publication details

The article was received on 11 Jan 2018, accepted on 13 Feb 2018 and first published on 15 Feb 2018


Article type: Research Article
DOI: 10.1039/C8QI00026C
Citation: Inorg. Chem. Front., 2018, Accepted Manuscript
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    Pb2BO3Br: A Novel Nonlinear Optical Lead Borate Bromine with KBBF-type Structure Exhibiting Strong Nonlinear Optical Response

    M. Luo, Y. Song, F. Liang, N. Ye and Z. Lin, Inorg. Chem. Front., 2018, Accepted Manuscript , DOI: 10.1039/C8QI00026C

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