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K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold
journal contribution
posted on 2019-12-13, 20:44 authored by Chao Wu, Lin Lin, Xingxing Jiang, Zheshuai Lin, Zhipeng Huang, Mark G. Humphrey, P. Shiv Halasyamani, Chi ZhangThe discovery of nonlinear optical (NLO) materials for
generating
coherent mid-infrared (mid-IR) light is critically important in developing
laser technologies. However, all of the commercialized mid-IR crystals
thus far possess problems that have hindered their application. We
report herein a function-directing structural design strategy to afford
a new type of mid-IR NLO material, using fluorinated 5d0-transition metal octahedra to construct a polar noncentrosymmetric
material K5(W3O9F4)(IO3). The Λ-shaped [W3O12F4]10– polyanion, consisting of distorted octahedra,
not only guides the alignment of the [IO3]− units but also serves as a new kind of NLO-active chromophore in
the mid-IR, with K5(W3O9F4)(IO3) possessing an optimal combination of large second-harmonic
generation response (11 × KH2PO4@1064 nm
and 0.5 × AgGaS2@2100 nm), wide visible and mid-IR
transparency (0.32–10.5 μm), and a giant laser damage
threshold (95 × AgGaS2). The important role of the
[W3O12F4]10– polyanion
in improving the NLO properties and extending the IR transparency
region has been clarified through first-principles calculations. Our
results suggest that the incorporation of fluorinated 5d0-transition metal chromophores into iodate materials may afford a
viable route to novel promising mid-IR NLO materials with exceptional
NLO functions.
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Keywords
iodate materialsIR transparency regionHigh Laser Damage Thresholdmid-IR NLO materialIO 3NLO functionsΛ-mid-IR crystalsEfficient Mid-Infrared Nonlinear OpticalPOtransition metal octahedralaser technologiesNLO-active chromophoreNLO propertiestransition metal chromophoresk 5design strategynoncentrosymmetric material K 5first-principles calculationsKHK 5W 3 O 12 F 4mid-IR NLO materials
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