Huang Junben, Abudurusuli Ailijiang, Yang Zhihua, Pan Shilie
School of Materials Science and Engineering, Xinjiang Environmental and Functional Materials Engineering Research Center, Xinjiang University, 777 Huarui Road, Urumqi, 830017, China.
Research Center for Crystal Materials, State Key Laboratory of Functional Materials and Devices for Special Environmental Conditions, Xinjiang Key Laboratory of Functional Crystal Materials, Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi, 830011, China.
Small. 2025 Feb;21(6):e2409997. doi: 10.1002/smll.202409997. Epub 2024 Dec 23.
Infrared nonlinear optical (NLO) crystal materials exert a crucial role in laser technology, which is extensively utilized in the fields of medical laser, long-distance laser communication, infrared laser guidance, etc. Currently, the commercially available infrared NLO crystals are diamond-like structural crystals AgGaQ (Q = S, Se) and ZnGeP. However, their applications are significantly limited owing to their inherent drawbacks, such as low laser damage thresholds and narrow band gaps. Therefore, exploring novel infrared NLO materials with excellent performances is urgent. At present, candidate systems for exploring infrared NLO materials mainly are chalcogenides, pnictides, metal halides for popular systems, and chalcohalides, oxyhalides, heavy metal oxides, oxychalcogenides, nitrides for emergent systems. Notably, among them, pnictides generally exhibited a stronger NLO performance than other systems, but a narrower band gap. Accordingly, after the detailed literature survey, to the best knowledge, ≈139 compounds achieve balanced performances (E ≥ 3.0 eV, d ≥ 0.5 × AgGaS) in the remaining systems, in which there are 2 metal halides, 9 oxyhalides, 10 heavy metal oxides, 17 nitrides, 19 oxychalcogenides, 22 chalcohalides, and 60 chalcogenides. Thus, the structure-property survey of these compounds produces the practical design strategy to explore emergent infrared NLO crystal materials with balanced properties.
红外非线性光学（NLO）晶体材料在激光技术中发挥着关键作用，激光技术广泛应用于医用激光、长距离激光通信、红外激光制导等领域。目前，市售的红外NLO晶体是类金刚石结构晶体AgGaQ（Q = S，Se）和ZnGeP。然而，由于其固有的缺点，如低激光损伤阈值和窄带隙，它们的应用受到显著限制。因此，迫切需要探索具有优异性能的新型红外NLO材料。目前，用于探索红外NLO材料的候选体系主要是硫族化物、磷族化物、流行体系的金属卤化物，以及新兴体系的硫卤化物、卤氧化物、重金属氧化物、氧硫族化物、氮化物。值得注意的是，其中磷族化物通常表现出比其他体系更强的NLO性能，但带隙更窄。因此，在详细的文献调研之后，据我们所知，在其余体系中约有139种化合物实现了性能平衡（E≥3.0 eV，d≥0.5×AgGaS），其中有2种金属卤化物、9种卤氧化物、10种重金属氧化物、17种氮化物、19种氧硫族化物、22种硫卤化物和60种硫族化物。因此，对这些化合物的结构-性能研究产生了探索具有平衡性能的新兴红外NLO晶体材料的实用设计策略。
