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dc.contributor.authorTang, LCen_US
dc.contributor.authorLee, MHen_US
dc.contributor.authorYang, CHen_US
dc.contributor.authorHuang, JYen_US
dc.contributor.authorChang, CSen_US
dc.date.accessioned2014-12-08T15:40:19Z-
dc.date.available2014-12-08T15:40:19Z-
dc.date.issued2003-09-10en_US
dc.identifier.issn0953-8984en_US
dc.identifier.urihttp://dx.doi.org/10.1088/0953-8984/15/35/312en_US
dc.identifier.urihttp://hdl.handle.net/11536/27534-
dc.description.abstractThe 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.en_US
dc.language.isoen_USen_US
dc.titleCation substitution effects on structural, electronic and optical properties of nonlinear optical AgGa(SxSe1-x)(2) crystalsen_US
dc.typeArticleen_US
dc.identifier.doi10.1088/0953-8984/15/35/312en_US
dc.identifier.journalJOURNAL OF PHYSICS-CONDENSED MATTERen_US
dc.citation.volume15en_US
dc.citation.issue35en_US
dc.citation.spage6043en_US
dc.citation.epage6055en_US
dc.contributor.department光電工程學系zh_TW
dc.contributor.departmentDepartment of Photonicsen_US
dc.identifier.wosnumberWOS:000185763300015-
dc.citation.woscount14-
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