關鍵字查詢 | 類別:期刊論文 | | 關鍵字:CsB3O5

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序號 學年期 教師動態
1 88/2 物理系 李明憲 副教授 期刊論文 發佈 Mechanism for linear and nonlinear optical effects in LiB3O5, CsB3O5, and CsLiB6O10 crystals , [88-2] :Mechanism for linear and nonlinear optical effects in LiB3O5, CsB3O5, and CsLiB6O10 crystals期刊論文Mechanism for linear and nonlinear optical effects in LiB3O5, CsB3O5, and CsLiB6O10 crystalsLin, Zheshuai; Lin, Jiao; Wang, Zhizhong; Chen, Chuangtian; Lee, Ming-Hsien淡江大學物理學系Intrinsic properties of excitons; optical absorption spectra; Electron density of states and band structure of crystalline solids; Optical constantsCollege Park: American Physical SocietyPhysical Review B (Condensed Matter and Materials Physics) 62(3), pp.1757-1764Electronic 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 gr
2 93/1 物理系 李明憲 副教授 期刊論文 發佈 Ab initio study of the hygroscopic properties of borate crystals , [93-1] :Ab initio study of the hygroscopic properties of borate crystals期刊論文Ab initio study of the hygroscopic properties of borate crystalsLin, Zhe-shuai; Xu, L.-F.; Li, R.-K.; Wang, Zhi-zhong; Chen, Chuang-tian; Lee, Ming-Hsien; Wang, E.-G.; Wang, Ding-Sheng淡江大學物理學系boric acid; ab initio calculation; crystal structure; density functional theory; energy absorption; molecule;wettabilityCollege Park: American Physical SocietyPhysical Review B (Condensed Matter and Materials Physics) 70(23), 233104(4pages)The hygroscopic properties of the borate crystals LiB3O5, CsB3O5, and CsLiB6O10 are studied by density-functional theory. It is found that the absorption energy and the diffusion mechanism of water molecules differ significantly for the three crystals. The deliquescent properties of borate crystals are determined mainly by the stress induced by water absorption. Our calculations are in good agreement with experimental observations.2014-07-31 補正完成 by 昀珊;tku_id: ; 000083026;Made availa
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