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M(NH2 SO3 )2 (M=Sr, Ba): Two Deep-Ultraviolet Transparent Sulfamates Exhibiting Strong Second Harmonic Generation
Xia Hao1,2,3, Min Luo1, Chensheng Lin1
1Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, China.
Abstract:
Over the last few decades, the development of each new nonlinear optical (NLO)-active functional unit has led to the discoveries of a series of excellent NLO materials. In the present work, based on first-principles studies, we identified a novel deep-UV (DUV) NLO-active functional unit, a non-π-conjugated group viz. (NH2 SO3 )- . By combining alkaline-earth metals with (NH2 SO3 )- group, two DUV transparent NLO sulfamates, M(NH2 SO3 )2 (M=Sr, Ba) with superior optical properties including strong SHG responses (1.2 and 2.7 × KH2 PO4 (KDP)), short UV cut-off edge (<190 nm) and moderate birefringence (0.056@589.3 nm for Sr(NH2 SO3 )2 ) were successfully synthesized. Our work has provided not only two promising DUV transparent NLO crystals, but also an innovative non-π-conjugated unit for developing more DUV transparent NLO materials.
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