Explorations of New SHG Materials in the Alkali-Metal鈥揘b5+鈥揝elenite System

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• 作者：Xue-Li Cao ; Chun-Li Hu ; Fang Kong ; Jiang-Gao Mao
• 刊名：Inorganic Chemistry
• 出版年：2015
• 出版时间：November 16, 2015
• 年：2015
• 卷：54
• 期：22
• 页码：10978-10984
• 全文大小：424K
• ISSN：1520-510X

文摘

Standard high-temperature solid-state reactions of NaCl, Nb₂O₅, and SeO₂ resulted in two new sodium selenites containing a second-order Jahn鈥揟eller (SOJT) distorted Nb⁵⁺ cation, namely, Na₂Nb₄O₇(SeO₃)₄ (P1虆; 1) and NaNbO(SeO₃)₂ (Cmc2₁; 2). Compound 1 exhibits an unusual 3D [Nb₄O₇(SeO₃)₄]^{2鈥?/sup> anionic network composed of 2D [Nb₄O₁₁(SeO₃)₂]6鈥?/sup> layers which are further bridged by additional SeO₃2鈥?/sup> anions via corner sharing; the 2D [Nb₄O₁₁(SeO₃)₂]6鈥?/sup> layer is formed by unusual quadruple [Nb₄O₁₇]14鈥?/sup> niobium oxide chains of corner-sharing NbO₆ octahedra being further interconnected by selenite anions via Nb鈥揙鈥揝e bridges. The polar compound 2 features a 1D [NbO(SeO₃)₂]鈭?/sup> anionic chain in which two neighboring Nb5+ cations are bridged by one oxo and two selenite anions. The alignments of the polarizations from the NbO₆ octahedra in 2 led to a strong SHG response of 鈭?.8 脳 KDP (鈭?60 脳 伪-SiO₂), which is the largest among all phases found in metal鈥揘b5+鈥揝e4+/metal鈥揘b5+鈥揟e4+鈥揙 systems. Furthermore, the material is also type I phase matchable. The above experimental results are consistent with those based on DFT theoretical calculations. Thermal stabilities and optical properties for both compounds are also reported.}