Xu Qian-Ting, Han Shan-Shan, Li Jia-Nuo, Guo Sheng-Ping
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, P. R. China.
Inorg Chem. 2022 Apr 11;61(14):5479-5483. doi: 10.1021/acs.inorgchem.2c00623. Epub 2022 Mar 28.
Second-order nonlinear optical (NLO) materials are extensively applied in laser-related techniques. For developing IR NLO materials, chalcogenides are the main candidates. Here, NaGaSe was explored as inspired by its unique anionic structure. It crystallizes with the orthorhombic chiral 222 structure, featuring 12 types of GaSe tetrahedra built into a three-dimensional {[GaSe]} anionic network, representing a new NLO-functional motif. NaGaSe exhibits large and phase-matchable NLO response 1.37 × AgGaS. It has the largest band gap among the noncentrosymmetric A-M-Se (A = alkali metal; M = Ga, In) compounds. The NLO properties' origin is explored via theoretical analysis. The success of NaGaSe contributes a practical case for exploring new NLO materials.
二阶非线性光学（NLO）材料广泛应用于激光相关技术中。为了开发红外NLO材料，硫族化物是主要候选材料。在此，受其独特阴离子结构的启发，对NaGaSe进行了探索。它以正交手性222结构结晶，具有12种类型的GaSe四面体，构建成三维{[GaSe]}阴离子网络，代表了一种新的NLO功能基序。NaGaSe表现出大的且可相位匹配的NLO响应，为AgGaS的1.37倍。它在非中心对称的A-M-Se（A = 碱金属；M = Ga、In）化合物中具有最大的带隙。通过理论分析探索了NLO性质的起源。NaGaSe的成功为探索新型NLO材料提供了一个实际案例。
