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Intense d-p Hybridization in Nb3O15 Tripolymer Induced the Largest Second Harmonic Generation Response and Birefringence in Germanates |
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| Authors: | Kaichuang Chen Prof Chensheng Lin Prof Jindong Chen Prof Guangsai Yang Haotian Tian Prof Min Luo Prof Tao Yan Prof Zhanggui Hu Prof Jiyang Wang Prof Yicheng Wu Prof Ning Ye Prof Guang Peng |
| Institution: | 1. Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, 350002 Fuzhou, Fujian, China
University of Chinese Academy of Sciences, 100049 Beijing, China;2. Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, 350002 Fuzhou, Fujian, China;3. Tianjin Key Laboratory of Functional Crystal Materials, Institute of Functional Crystal, Tianjin University of Technology, 300384 Tianjin, China |
| Abstract: | We herein report two asymmetric germanate crystals, KNbGe3O9 and K3Nb3Ge2O13, with different structures and optical properties derived from divergent polymerized forms of GeO4 and NbO6 groups. Remarkably, K3Nb3Ge2O13 achieved a rare combination of the strongest second harmonic generation (SHG) response of 17.5×KDP @ 1064 nm and the largest birefringence of 0.196 @ 546 nm in germanates. It features unique Nb3O12]∞ tubular chains constructed by circular Nb3O15 tripolymers. Theoretical calculations reveal that the d-p interactions in the Nb3O15 group are responsible for outstanding optical properties. This work emphasizes the significance of the polymerizable functional units in obtaining high-performance nonlinear optical (NLO) crystals. |
| Keywords: | Birefringence Germanate Mid-Infrared Nonlinear Optical d-p Interaction |