Abstract
A new nonlinear optical crystals fluoride carbonate, Na4Yb(CO3)3F, has been synthesized by mild hydrothermal method. The Na4Yb(CO3)3F crystallizes in the noncentrosymmetric space group Cc (no. 9) with the lattice parameters a = 8.018(3), b = 15.929(5), c = 13.950(5) Å and β = 101.425(6)°. The compound Na4Yb(CO3)3F has a high density of [CO3] groups. The structure can be described as one-dimensional [Na5Yb(CO3)2F2] chains connected by [CO3] groups, forming an intricate three-dimensional (3D) framework. Other Na+ and Yb3+ cations are located in the cavities of 3D network. The powder second harmonic generation (SHG) measurement shows that Na4Yb(CO3)3F features a large SHG response, about 4.3 times that of KH2PO4 (KDP), and is a phase-matchable material. In addition, its UV-Vis-NIR diffuse reflectance spectral data indicate that Na4Yb(CO3)3F has a large optical gap about 4.72 eV, which corresponds to the UV cut-off edge of 263 nm.
Highlights
Nonlinear optical (NLO) crystals are of great importance for UV frequency conversion, due to the increasing demand on the applications of UV laser
The powder second harmonic generation (SHG) test shows that the compound exhibits under a subcritical hydrothermal condition
The powder SHG test shows that the compound exhibits a large SHG response about 4.3 times KH2 PO4 (KDP)
Summary
Nonlinear optical (NLO) crystals are of great importance for UV frequency conversion, due to the increasing demand on the applications of UV laser. It remains challenging to obtain practically useful materials possessing high NLO coefficients and wide UV transparency. Various ideas have been put forward on how to design NLO crystals with large. SHG effect [8–10], the anionic group theory has achieved great success in guiding the design and synthesis of UV and deep-UV NLO. Based on the anionic group theory [11,12], there are two ways to produce large NLO effects: (1) favorable NLO-active structural units are in coparallel alignment in crystal and (2) the density of NLO-active structural units is high in crystal. According to the anionic groups theory, one can know that the favorable structural unit is the planar [BO3 ]3−
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