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    题名: Ab initio study of the structural and optical properties of orthorhombic ternary nitride crystals
    作者: Huang, Jung Y.;Tang, L. C.;李明憲;Lee, M. H.
    贡献者: 淡江大學物理學系
    日期: 2001-11-19
    上传时间: 2009-12-31 10:30:50 (UTC+8)
    出版者: Institute of Physics (IOP)
    摘要: 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.
    關聯: Journal of Physics: Condensed Matter13(46), pp.10417-10431
    显示于类别:[物理學系暨研究所] 期刊論文

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