教師資料查詢 | 類別: 期刊論文 | 教師: 李明憲 LEE, MING-HSIEN (瀏覽個人網頁)

標題:A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses
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學期
出版(發表)日期2020/10/13
作品名稱A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses
作品名稱(其他語言)
著者Lu Qi; Zhaohui Chen; Xuerui Shi; Xiaodong Zhang; Qun Jing; Na Li; Zhongqi Jiang; Bingbing Zhang; Ming-Hsien Lee
單位
出版者
著錄名稱、卷期、頁數Chemistry of Materials 32(19), p.8713-8723
摘要Exploring novel photoelectric functional materials via chemical substitution-oriented design is an effective strategy, which can be expanded to the discovery of high-performance UV nonlinear optical (NLO) materials. Two new NLO pyrophosphates, Rb3BaBi(P2O7)2 (I) and Cs3BaBi(P2O7)2 (II), are rationally developed by a cation substitution technique based on A3PbBi(P2O7)2 (A = Rb and Cs), of which I inherits the large second-harmonic generation (SHG) response (exptl 2.5 × KDP; calcd 2.9 × KDP) and moderate birefringence (0.025@1064 nm) accompanied by a broadened UV transparent region. Compounds I and II are isomeric and exhibit different Ba–P–O frameworks. Especially, I possesses a large SHG effect benefiting from the favorable pentagonal-net topological structure. Detailed theory calculations elucidate the origin of the linear and nonlinear optical properties of the compounds. The insights obtained from the atomic-level module adjustment involving lone-pair-active optical anisotropy are useful for designing more efficient UV NLO materials.
關鍵字
語言英文
ISSN1520-5002
期刊性質國外
收錄於SCI;
產學合作
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審稿制度
國別美國
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