化学
紫外线
硼
四面体
热稳定性
双折射
金属
通量法
结晶学
切断
波长
分析化学(期刊)
光学
单晶
物理
有机化学
量子力学
色谱法
作者
Shuaifeng Li,Jinmiao Jiao,Yuheng She,Ning Ye,Zhanggui Hu,Yicheng Wu,Conggang Li
标识
DOI:10.1021/acs.inorgchem.3c03273
摘要
Borate materials continue to command considerable attention due to their remarkable capacity for applications in deep ultraviolet (UV) wavelengths. Herein, two new metal borates KSrM3B2O9 (M = Al and Ga) were extracted via the application of flux techniques. These two crystals adopt a centrosymmetric space group P21/c (no. 14), showcasing a layered structural configuration composed of isolated [BO3] plane triangles and [AlO4]/[GaO4] tetrahedra. Thermal analysis revealed that KSrM3B2O9 (M = Al and Ga) exhibits an incongruent nature and possesses good thermal stability up to 1083 and 983 °C, respectively. Notably, these compounds display a short UV-transmission cutoff edge, approximately around 194 and 200 nm, accompanied by band gaps of 5.47 and 4.83 eV, respectively. Furthermore, KSrM3B2O9 (M = Al and Ga) demonstrates a moderate optical birefringence of 0.026 and 0.025, respectively. Additionally, first-principles calculations were employed to shed light on the intricate interplay between the structure and properties of these compounds.
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