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:p–(p,π*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates LinMn−1B2n−1O4n−2 (M = Cs/Rb, n = 3, 4, 6)
學年102
學期2
出版(發表)日期2014/06/07
作品名稱p–(p,π*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates LinMn−1B2n−1O4n−2 (M = Cs/Rb, n = 3, 4, 6)
作品名稱(其他語言)
著者Zhang, Bingbing; Yang, Zhihua; Yang, Yun; Lee, Ming-Hsien; Pan, Shilie; Jin, Qun; Su, Xin
單位淡江大學物理學系
出版者Cambridge: R S C Publications
著錄名稱、卷期、頁數Journal of Materials Chemistry C 2(21), pp.4133-4141
摘要Exploration on the compounds in the complex alkali metal borate system had resulted in the discovery of a class of deep-ultraviolet second-order nonlinear optical (NLO) materials, including Li3Cs2B5O10 (L3CBO), Li4Cs3B7O14 (L4CBO), and Li6Rb5B11O22 (L6RBO), which can be reduced to a general formula of LinMn−1B2n−1O4n−2 (M = Cs/Rb, n = 3, 4, 6). All of the three crystals exhibit a short UV cutoff edge (below 190 nm) and share a class of topologically similar BO groups interconnected by LiOn (n = 4, 5), Rb/CsOn (n = 8, 9, 10). The mechanism of NLO properties of this class of crystals was studied using band-resolved and SHG-density methods based on the first-principles theory. The results reveal that the “charge-transfer excitation” from the non-bonding 2p occupied states of O atoms to the π* and 2p unoccupied states of the BO3 substructure in BO groups is the key mechanism of NLO properties of this material family. Through systematic analyses on the relationship between crystal structure and NLO effects, a new crystal, Li4Rb3B7O14, was designed and subsequently synthesized through solid state reaction, which is isomorphic with Li4Cs3B7O14 and exhibits a short UV cutoff edge (below 190 nm) and a SHG response of 2/3 × KDP.
關鍵字
語言英文
ISSN2050-7526
期刊性質國外
收錄於SCI;
產學合作
通訊作者
審稿制度
國別英國
公開徵稿
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