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http://archives.univ-biskra.dz/handle/123456789/7268| Title: | First-principles investigationofelectronicandopticalpropertiesand thermodynamic stabilityofZn1 xBexO semiconductoralloy |
| Authors: | Said Lakel FatimaElhamra K.Almi H.Meradji |
| Keywords: | DFT Zn1 xBexO Electronic properties Optic properties Thermodynamic properties |
| Issue Date: | 27-Feb-2016 |
| Abstract: | The 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. |
| URI: | http://archives.univ-biskra.dz/handle/123456789/7268 |
| Appears in Collections: | Publications Internationales |
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| File | Description | Size | Format | |
|---|---|---|---|---|
| 13 B-I.pdf | 2,91 MB | Adobe PDF | View/Open |
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