Synthesis, Characterization and Property of a New UV Nonlinear Optical Crystal KNa 5Ca 5(CO 3) 8

【Author】

CHEN Qiao-Ling;LUO Min;LIN Chen-Sheng

【Institution】

College of Mathematics and Physics, Fujian University of Technology;Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences;Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences

【Abstract】

A new carbonate nonlinear optical (NLO) material, KNa 5Ca 5(CO 3) 8, was successfully synthesized by mild hydrothermal method. It crystallizes in hexagonal space group (P63 mc) with lattice parameters a = b = 1.007 86(4) and c = 1.262 56(8) nm ( Z = 2). The structure of KNa 5Ca 5(CO 3) 8 can be described as standing-on-edge [CO 3] groups connecting the adjacent infinite [CaCO 3] ∞ layers in the a-b plane to construct a framework with four types of channels running parallel to [010]. K, Na and [Na 0.67Ca 0.33] atoms reside in the tunnels. In the structure, the flat-lying [CO 3] groups in two successive layers present an opposite orientation. This arrangement is negative for NLO susceptibilities. The macroscopic of SHG effects, however, originated from the standing-on-edge [CO 3] group along c axis. It is regrettable that the standing-on-edge [C3O 3] and [C4O 3] groups are almost arranged oppositely to the c direction, which weakens the SHG contribution from the standing-on-edge [CO 3] groups. The measurement of second harmonic generation (SHG) by the method adapted from Kurtz and Perry indicates that the compound is phase-matchable in visible region and exhibits moderate SHG response about 1.2 times higher than that of KH 2PO 4. In addition, the UV-Vis-NIR diffuse reflection spectral measurements indicate that KNa 5Ca 5(CO 3) 8 has a large optical gap about 5.95 eV. Moreover, the first-principles electronic structure calculations show that the CO 3 groups play an important role in the total SHG response. Therefore, our data suggest that the new compound as NLO material may have potential applications in the UV region.

【Keywords】

UV;carbonates;nonlinear optical crystal;crystal growth

References

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Total: 34 articles

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