铌氧化物三聚体中的强烈 d-p 杂化导致了 germanates 中最大的二次谐波产生响应和双折射。
Intense d-p Hybridization in Nb O Tripolymer Induced the Largest Second Harmonic Generation Response and Birefringence in Germanates.
机构信息
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.
出版信息
Angew Chem Int Ed Engl. 2023 Feb 20;62(9):e202217039. doi: 10.1002/anie.202217039. Epub 2023 Jan 24.
We herein report two asymmetric germanate crystals, KNbGe O and K Nb Ge O , with different structures and optical properties derived from divergent polymerized forms of GeO and NbO groups. Remarkably, K Nb Ge O 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 [Nb O ] tubular chains constructed by circular Nb O tripolymers. Theoretical calculations reveal that the d-p interactions in the Nb O 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.
我们在此报告了两种具有不同结构和光学性质的不对称锗酸盐晶体 KNbGe O 和 K Nb Ge O ，它们源于 GeO 和 NbO 基团的发散聚合形式。值得注意的是，KNbGe O 在锗酸盐中实现了最强的二次谐波产生（SHG）响应 17.5×KDP@1064nm 和最大双折射 0.196@546nm 的罕见组合。它具有独特的[Nb O ]管状链，由圆形的 Nb O 三聚体构成。理论计算表明，Nb O 基团中的 d-p 相互作用是其具有优异光学性能的原因。这项工作强调了可聚合功能单元在获得高性能非线性光学（NLO）晶体方面的重要性。
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