期刊論文

學年 88
學期 2
出版(發表)日期 2000-07-01
作品名稱 Mechanism for linear and nonlinear optical effects in LiB3O5, CsB3O5, and CsLiB6O10 crystals
作品名稱(其他語言)
著者 Lin, Zheshuai; Lin, Jiao; Wang, Zhizhong; Chen, Chuangtian; Lee, Ming-Hsien
單位 淡江大學物理學系
出版者 College Park: American Physical Society
著錄名稱、卷期、頁數 Physical Review B (Condensed Matter and Materials Physics) 62(3), pp.1757-1764
摘要 Electronic structure calculations of LiB3O5, CsB3O5, and CsLiB6O10 crystals from first principles are performed based on a plane-wave pseudopotential method. The static second-harmonic generation (SHG) coefficients are calculated at the independent-particle level with a formalism improved by our group and co-workers [Phys. Rev. B 60, 13 380 (1999)]. A real-space atom-cutting method is adopted to analyze the respective contributions of the cation and anionic groups to optical response. The calculated refractive indices and SHG coefficients are in good agreement with the experimental values. On the basis of these calculations, the influence of the cations on the band gaps and the optical responses is evaluated. The results show that with the increase of their radius their contributions to SHG become slightly more pronounced.
關鍵字 Intrinsic properties of excitons; optical absorption spectra; Electron density of states and band structure of crystalline solids; Optical constants
語言 en
ISSN 1098-0121 1550-235X
期刊性質 國外
收錄於 SCI
產學合作
通訊作者
審稿制度
國別 USA
公開徵稿
出版型式 電子版 紙本
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