期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 140, 期 11, 页码 3884-3887出版社
AMER CHEMICAL SOC
DOI: 10.1021/jacs.8b01263
关键词
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资金
- National Natural Science Foundation of China [51425205, U1605245, 91622118, 51602309]
- National Key Research and Development Plan of Ministry of Science and Technology [2016YFB0402104]
- Strategic Priority Research Program of the Chinese Academy of Sciences [XDB20000000]
- China 863 Project [2015AA034203]
- Chunmiao Project of Haixi Institute of Chinese Academy of Science
Two novel noncentrosymmetric alkaline earth fluorooxoborates, M2B10O14F6 (M = Ca, Sr), were synthesized and characterized. Both of these two isostructural compounds had layered [B5O7F3](infinity) structures with large second harmonic generation (SHG) responses ranging from 2.3 to 2.5 x KH2PO4 (KDP) and short UV absorption edges (<200 nm). The first-principles calculation demonstrated that their nonlinear optical (NLO) properties were superior to those of KBe2BO3F2 (KBBF). In contrast to the alkali fluorooxoborates, these two fluorooxoborates showed not only remarkable stability against air and moisture but also high thermal stability. Therefore, M2B10O14F6 (M = Ca, Sr) should be promising deep-ultraviolet (DUV) NLO materials.
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