English  |  正體中文  |  简体中文  |  Items with full text/Total items : 49647/84944 (58%)
Visitors : 7707185      Online Users : 75
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/987654321/27780


    Title: Mechanism for linear and nonlinear optical effects in β−BaB2O4 crystals
    Authors: Lin, Jiao;Lee, Ming-hsien;Liu, Zhi-ping;Chen, Chuangtian;Pickard, C. J.
    Contributors: 淡江大學物理學系
    Keywords: INITIO TOTAL-ENERGY;2ND-HARMONIC GENERATION;ELECTRONIC-STRUCTURE;FIRST-PRINCIPLES;SEMICONDUCTORS;PSEUDOPOTENTIALS;LIB3O5;SUSCEPTIBILITY;BAB2O4;COEFFICIENTS
    Date: 1999-11
    Issue Date: 2013-07-09 15:21:16 (UTC+8)
    Publisher: College Park: American Physical Society
    Abstract: Electronic structure calculations of beta-BaB2O4 from first principles are performed based on a plane-wave pseudopotential method, and the linear optical properties are then obtained. The static second-harmonic generation (SHG) coefficients are calculated at the independent-particle level with a formalism originally given by Aversa and Sipe [Phys. Rev. B 52, 14 636 (1995)] and later rearranged by Rashkeev et al. [Phys. Rev. B 57, 3905 (1998)] to explicitly show Kleinman's symmetry. The formalism is improved to be more efficient in reducing the k points necessary for convergence. A real-space atom-cutting method is suggested to analyze the respective contributions of various transitions among ions and ion groups to optical response. The contribution of the cation Ba to SHG effects is found to be not important but non-negligible, while its contribution to birefringence is negligible.
    Relation: Physical Review B (Condensed Matter and Materials Physics) 60(19), pp.13380-13389
    DOI: 10.1103/PhysRevB.60.13380
    Appears in Collections:[物理學系暨研究所] 期刊論文

    Files in This Item:

    File Description SizeFormat
    1098-0121_60(19)p13380-13389.pdf129KbAdobe PDF156View/Open
    index.html0KbHTML102View/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