The introduction of Pb2+ cations with the lone pair effect and the largest electronegativity of F- anions successfully results in a new non-centrosymmetric lead borate fluoride, Pb3B6O 11F2, which possesses a large SHG response about four times that of KH2PO4 (KDP) and is type-I phase matchable. The structure is built from a 3-dimensional B-O network composed of hexaborate B6O14 groups and novel [FPb3]∞ layers. First-principles electronic structure calculations show that the calculated birefringence of Pb3B6O11F 2 is about 0.07 in the visible region. Based on the measurement of the UV-Vis-NIR diffuse-reflectance spectrum, it exhibits a wide transparency range with a short UV cut-off edge at about 240 nm. All these properties indicate that Pb3B6O11F2 is a promising nonlinear optical crystal in the UV region.
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry of CAS, 40-1 South Beijing Road, Urumqi 830011, China
Li, Hongyi,Wu, Hongping,Su, Xin,et al. Pb3B6O11F2: the first non-centrosymmetric lead borate fluoride with a large second harmonic generation response[J]. Journal of Materials Chemistry C,2014,2(9):1704-1710.