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Tailored Synthesis of Two Metal Borates KSrM3B2O9 (M = Al and Ga) Exhibiting Wide Ultraviolet Transparency
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-10-23 , DOI: 10.1021/acs.inorgchem.3c03273
Shuaifeng Li 1 , Jinmiao Jiao 1 , Yuheng She 1 , Ning Ye 1 , Zhanggui Hu 1 , Yicheng Wu 1 , Conggang Li 1
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-10-23 , DOI: 10.1021/acs.inorgchem.3c03273
Shuaifeng Li 1 , Jinmiao Jiao 1 , Yuheng She 1 , Ning Ye 1 , Zhanggui Hu 1 , Yicheng Wu 1 , Conggang Li 1
Affiliation
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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.
中文翻译:
两种具有宽紫外透明度的金属硼酸盐 KSrM3B2O9(M = Al 和 Ga)的定制合成
硼酸盐材料由于其在深紫外 (UV) 波长应用中的卓越能力而继续受到广泛关注。在此,通过应用助熔剂技术提取了两种新的金属硼酸盐KSrM 3 B 2 O 9 (M = Al和Ga)。这两种晶体采用中心对称空间群P 2 1 / c(编号14),呈现出由孤立的[BO 3 ]平面三角形和[AlO 4 ]/[GaO 4 ]四面体组成的层状结构配置。热分析表明,KSrM 3 B 2 O 9 (M = Al 和 Ga) 表现出不一致的性质,并且分别在高达 1083 和 983 °C 的温度下具有良好的热稳定性。值得注意的是,这些化合物显示出较短的紫外透射截止边缘,大约在 194 和 200 nm 左右,带隙分别为 5.47 和 4.83 eV。此外,KSrM 3 B 2 O 9 (M=Al和Ga)分别表现出0.026和0.025的中等光学双折射。此外,还采用第一性原理计算来揭示这些化合物的结构和性质之间复杂的相互作用。
更新日期:2023-10-23
中文翻译:
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两种具有宽紫外透明度的金属硼酸盐 KSrM3B2O9(M = Al 和 Ga)的定制合成
硼酸盐材料由于其在深紫外 (UV) 波长应用中的卓越能力而继续受到广泛关注。在此,通过应用助熔剂技术提取了两种新的金属硼酸盐KSrM 3 B 2 O 9 (M = Al和Ga)。这两种晶体采用中心对称空间群P 2 1 / c(编号14),呈现出由孤立的[BO 3 ]平面三角形和[AlO 4 ]/[GaO 4 ]四面体组成的层状结构配置。热分析表明,KSrM 3 B 2 O 9 (M = Al 和 Ga) 表现出不一致的性质,并且分别在高达 1083 和 983 °C 的温度下具有良好的热稳定性。值得注意的是,这些化合物显示出较短的紫外透射截止边缘,大约在 194 和 200 nm 左右,带隙分别为 5.47 和 4.83 eV。此外,KSrM 3 B 2 O 9 (M=Al和Ga)分别表现出0.026和0.025的中等光学双折射。此外,还采用第一性原理计算来揭示这些化合物的结构和性质之间复杂的相互作用。