Sulfamide: A Promising Deep‐Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO<sub>2</sub>(NH<sub>2</sub>)<sub>2</sub>] Tetrahedra
Haotian Tian, Ning Ye, Min Luo
Abstract
Abstract For the first time, the polar covalent tetrahedron [SO 2 (NH 2 ) 2 ] is revealed as a new deep‐ultraviolet (DUV) nonlinear optical (NLO)‐active unit according to theoretical calculations. Furthermore, sulfamide consisting of polar [SO 2 (NH 2 ) 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.: [email protected] nm) and the shortest SHG wavelength predicted as 188 nm.