Please use this identifier to cite or link to this item: http://archives.univ-biskra.dz/handle/123456789/7268
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dc.contributor.authorSaid Lakel-
dc.contributor.authorFatimaElhamra-
dc.contributor.authorK.Almi-
dc.contributor.authorH.Meradji-
dc.date.accessioned2016-02-27T14:56:38Z-
dc.date.available2016-02-27T14:56:38Z-
dc.date.issued2016-02-27-
dc.identifier.urihttp://archives.univ-biskra.dz/handle/123456789/7268-
dc.description.abstractThe electronic,opticalandthermodynamicpropertiesofberylliumdopedzincoxide(Zn1 xBexO) ternary mixedcrystalarestudiedbythe first-principle calculationswithintheframeworkofthedensityfunc- tional theory(DFT).OurcalculatedlatticeconstantsforZnOandBeOareingoodagreementwiththe availabletheoreticalandexperimentaldata.ThelatticeconstantsdecreasewithBeconcentrationin- creasing. Thecalculatedbandstructureshowsthatallconsideredcompoundsaredirectgapsemi- conductors. Thedensityofstatesandopticalconstantssuchascomplexdielectricfunction,extinction coefficient, refractiveindexandabsorptioncoefficient arealsocalculatedandanalyzedindetail.More- over,thethermodynamicstabilityofthesealloysisinvestigatedbythecalculated T–x phase diagram.en_US
dc.language.isoenen_US
dc.subjectDFT Zn1 xBexO Electronic properties Optic properties Thermodynamic propertiesen_US
dc.titleFirst-principles investigationofelectronicandopticalpropertiesand thermodynamic stabilityofZn1 xBexO semiconductoralloyen_US
dc.typeArticleen_US
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