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    Title: Cation substitution effects on structural, electronic and optical properties of nonlinear optical AgGa(SxSe1-x)2 crystals
    Authors: Tang, L. C.;李明憲;Lee, M. H.;Yang, C. H.;Huang, J. Y.;Chang, C. S.
    Contributors: 淡江大學物理學系
    Date: 2003-08-22
    Issue Date: 2009-12-31 10:30:53 (UTC+8)
    Publisher: Institute of Physics (IOP)
    Abstract: The structural, electronic and optical properties of tetragonal nonlinear optical (NLO) crystals, AgGa(SxSe1−x)2 (x = 0.0, 0.25, 0.5, 0.75, and 1.0), were investigated theoretically and experimentally. The results obtained indicated that the electronic bandgaps, optical properties and bulk moduli of these compounds were linearly dependent on the substitution concentration of cations. From partial density of state analysis, it was found that the electronic states near the band edges of AgGa(SxSe1−x)2 were a simple proportional mixture of the atomic orbitals of sulfur and selenium. A cell-volume effect was proposed as the major cause of the linear dependence of material properties on the substitution concentration. It was calculated that the second-order NLO susceptibilities were scaled with the cubic power of bandgap, although a minor deviation existed. This deviation arose from the optical transition moment products.
    Relation: Journal of Physics: Condensed Matter15(35), pp.6043-6055
    DOI: 10.1088/0953-8984/15/35/312
    Appears in Collections:[Graduate Institute & Department of Physics] Journal Article

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