ABi2(IO3)2F5 (A=K, Rb, and Cs): A Combination of Halide and Oxide Anionic Units To Create a Large Second‐Harmonic Generation Response with a Wide Bandgap. (5th July 2017)

• Record Type: Journal Article
• Authors: Liu, Hongming; Wu, Qi; Jiang, Xingxing; Lin, Zheshuai; Meng, Xianggao; Chen, Xingguo; Qin, Jingui
• Is Part Of: Angewandte Chemie. Volume 129:Number 32(2017)
• Page Start: 9620
• Page End: 9624
• Publication Date: 2017-07-05
• Subjects: Bismutoxyhalogenide -- Computerchemie -- Frequenzverdopplung -- Nichtlineare optische Materialien -- Struktur-Aktivitäts-Beziehungen; Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201705672
• Languages: English
• ISSNs: 0044-8249

Abstract

Abstract: A family of nonlinear optical materials that contain the halide, oxide, and oxyhalide polar units simultaneously in a single structure, namely ABi2 (IO3 )2 F5 (A=K (1 ), Rb (2 ), and Cs (3 )), have been designed and synthesized. They crystallize in the same polar space group ( P 21 ) with a two‐dimensional double‐layered framework constructed by [BiF5 ] 2− and [BiO2 F4 ] 5− units connected to each other by four F atoms, in which two [IO3 ] − groups are linked to [BiO2 F4 ] 5− unit on the same side. A hanging Bi−F bond of [BiF5 ] 2− unit is located on the other side via ionic interaction with the layer‐inserted alkali metal ions to form three‐dimensional structure. The well‐ordered alignments of these polar units lead to a very strong second‐harmonic generation response of 12 (1 ), 9.5 (2 ), and 7.5 (3 ) times larger than that of potassium dihydrogen phosphate under 1064 nm laser radiation. All of them exhibited a wide energy bandgap over 3.75 eV, suggesting that they will have a high laser damage threshold.