English  |  正體中文  |  简体中文  |  Items with full text/Total items : 52048/87179 (60%)
Visitors : 8873280      Online Users : 298
RC Version 7.0 © Powered By DSPACE, MIT. Enhanced by NTU Library & TKU Library IR team.
Scope Tips:
  • please add "double quotation mark" for query phrases to get precise results
  • please goto advance search for comprehansive author search
  • Adv. Search
    HomeLoginUploadHelpAboutAdminister Goto mobile version
    Please use this identifier to cite or link to this item: http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/27803

    Title: Band-resolved analysis of nonlinear optical properties of crystalline and molecular materials
    Authors: Lee, Ming-Hsien;Yang, Chou-Hsun;Jan, Jeng-Huei
    Contributors: 淡江大學物理學系
    Keywords: anion;benzene derivative;gallium;selenium;silicon;silver;chemical structure;complex formation;crystal;density functional theory;mathematical analysis;molecule;substitution reaction
    Date: 2004-12
    Issue Date: 2013-07-09 15:17:13 (UTC+8)
    Publisher: College Park: American Physical Society
    Abstract: Through three case studies, plane wave pseudopotential density functional theory calculations are performed to investigate the mechanism of second harmonic generation (SHG) of the nonlinear optical materials. We want to know how SHG coefficients are affected by: (1) anion substitution in AgGa(SxSe1-x)2 ; (2) the isomeric effect in push-pull benzenes; and (3) the length of π -conjugate chain in push-pull polyenes. A sum-over-states type formalism is used for the evaluation of static SHG coefficients. Orbital contribution to the β or χ(2) can be decomposed on a (energy) level-by-level basis by partially summing only two out of all three band indices. Through such process that we proposed, the dominant orbitals that give major contribution to a SHG process can then be identified and analyzed. These so-called “band-resolved” plots of SHG coefficient are sensitive to the variation of structure and configuration of the materials, and can thus be used to study the detailed mechanism of SHG processes in crystals and molecules.
    Relation: Physical Review B (Condensed Matter and Materials Physics) 70(23), 235110(11pages)
    DOI: 10.1103/PhysRevB.70.235110
    Appears in Collections:[物理學系暨研究所] 期刊論文

    Files in This Item:

    File Description SizeFormat
    1098-0121_70(23)p235110(11pages).pdf223KbAdobe PDF116View/Open

    All items in 機構典藏 are protected by copyright, with all rights reserved.

    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library & TKU Library IR teams. Copyright ©   - Feedback