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    Please use this identifier to cite or link to this item: http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/27626


    Title: Ab initio study of the structural and optical properties of orthorhombic ternary nitride crystals
    Authors: Huang, Jung Y.;Tang, L. C.;李明憲;Lee, M. H.
    Contributors: 淡江大學物理學系
    Date: 2001-11-19
    Issue Date: 2009-12-31 10:30:50 (UTC+8)
    Publisher: Institute of Physics (IOP)
    Abstract: The structural, optical and mechanical properties of orthorhombic ternary nitride crystals have been analysed theoretically with first-principles calculation. Our results indicate that these nitrides possess fairly large optical bandgap (4-6 eV), second-order nonlinear optical susceptibility (13-18 pm V-1), and bulk modulus 170-370 GPa. Therefore these materials could be useful for optical and protective coating applications. Our analysis with the band-by-band and atomic species projection techniques not only yields useful information about material properties, but also provides deep insight into the fundamental understanding of the mechanical and optical properties of orthorhombic ternary nitrides.
    Relation: Journal of Physics: Condensed Matter13(46), pp.10417-10431
    Appears in Collections:[物理學系暨研究所] 期刊論文

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