Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14

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• 作者：Hongwei Yu ; Weiguo Zhang ; Joshua Young ; James M. Rondinelli ; P. Shiv Halasyamani
• 刊名：Journal of the American Chemical Society
• 出版年：2016
• 出版时间：January 13, 2016
• 年：2016
• 卷：138
• 期：1
• 页码：88-91
• 全文大小：387K
• ISSN：1520-5126

文摘

A new ultraviolet nonlinear optical (NLO) material, Pb₃Mg₃TeP₂O₁₄ (PMTP), has been synthesized and characterized. The chiral material exhibits a large second harmonic generation (SHG) response of 13.5 × KDP (600 × α-SiO₂), and the shortest absorption edge (250 nm) of reported materials with a strong SHG response (>10 × KDP). PMTP has a three-dimensional crystal structure of corner-shared MgO₄, PO₄, and TeO₆ polyhedra, which form a [TeMg₃P₂O₁₄]_∞ framework. Electronic structure calculations revealed that the stereoactive lone pair on the Pb²⁺ cation is critical to producing the substantial NLO response and that the NLO activity is further enhanced by the presence of triply bidentate Te⁶⁺ cations found in Te–O–O–Pb rings.