Wang Dan, Zhang Yunxi, Liu Qian, Zhang Bingbing, Yang Daqing, Wang Ying
College of Chemistry and Environmental Science, Hebei University, Baoding 071002, China.
Dalton Trans. 2022 Jun 13;51(23):8955-8959. doi: 10.1039/d2dt01320g.
Tellurate crystals are attractive for developing new nonlinear optical (NLO) materials in the mid-infrared region due to their wide transmission window. In this work, we report a quaternary tellurate oxide crystal, LiGeTeO, which exhibits a short cutoff edge (240 nm) with a powder second harmonic generation (SHG) response of 1.3 × KHPO (KDP). The reported material reveals the largest band gap in the LiMTeO (M = tetravalent cation) family. The first-principles calculations were used to illustrate the origin of the NLO effect. These results highlight the band gap engineering based on the cation substitution strategy for designing new NLO materials with balanced optical properties.
碲酸盐晶体因其宽透射窗口而在开发中红外区域新型非线性光学（NLO）材料方面具有吸引力。在这项工作中，我们报道了一种四元碲酸盐氧化物晶体LiGeTeO，它具有短截止边（240 nm），粉末二次谐波产生（SHG）响应为1.3×KHPO（KDP）。所报道的材料在LiMTeO（M = 四价阳离子）家族中具有最大的带隙。第一性原理计算用于阐明NLO效应的起源。这些结果突出了基于阳离子取代策略的带隙工程在设计具有平衡光学性能的新型NLO材料方面的作用。
