Sulfamide: A Promising Deep-Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO2 (NH2 )2 ]
Haotian Tian1,2, Ning Ye3, Min Luo1
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:
For the first time, the polar covalent tetrahedron [SO2 (NH2 )2 ] is revealed as a new deep-ultraviolet (DUV) nonlinear optical (NLO)-active unit according to theoretical calculations. Furthermore, sulfamide consisting of polar [SO2 (NH2 )2 ] units was confirmed as an excellent candidate as a DUV NLO crystal. Sulfamide provides the optimal balance between composition, structure, and properties, in addition to a very short absorption of 160 nm. It achieves multiple optical performance records for non-π-conjugated DUV NLO materials, including the strongest second harmonic generation (SHG) efficiency (about 4 times that of KDP), the largest birefringence (obv.: 0.07@589.3 nm) and the shortest SHG wavelength predicted as 188 nm.
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