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Nonlinear optical properties of a new polar bismuth tellurium oxide fluoride, Bi3F(TeO3)(TeO2F2)(3)

초록/요약 도움말

A novel noncentrosymmetric polar bismuth tellurium oxide fluoride, Bi3F(TeO3)(TeO2F2)(3), has been hydrothermally synthesized by using Bi2O3, TeO2, and HF solution at 230 degrees C. The structural backbone of Bi3F(TeO3)(TeO2F2)(3) is composed of several polyhedra with lone pair cations, such as BiO6F3, TeO2F2, and TeO3. The asymmetric geometric features found from the polyhedra of Bi3+ and Te4+ should be attributed to the lone pairs on the cations. The overall framework of Bi3F(TeO3)(TeO2F2)(3) can be considered as a three-dimensional hexagonal tungsten oxide-like topology. The UV-vis diffuse reflectance spectral data suggest that the title compound has a wide band gap of ca. 3.85 eV due to the distortions of the asymmetric units, as well as the electronegative fluoride anions. Second-harmonic generation (SHG) measurements using a 1064 nm radiation indicate that Bi3F(TeO3)(TeO2F2)(3) reveals a nonphase-matching behavior and ca. 9 times larger SHG counts than that of alpha-SiO2. The near-static value of the second-order nonlinear optical susceptibility, chi s((2)), of the reported compound is calculated to be ca. 5.1 +/- 0.6 pm/V. The wavelength-dependent SHG measurements indicate that the SHG counts of Bi3F(TeO3)(TeO2F2)(3) decrease as the excitation wavelength increases from 1064 to 1600 nm. (C) 2021 Elsevier B.V. All rights reserved.

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