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Optik127(2016)9280–9294

Contents lists available atScienceDirect

Optik

j o u r n a l h o m e p a g e :w w w . e l s e v i e r . d e / i j l e o

Original research article

Full-potential calculations of structural and optoelectronic properties of cubic indium gallium arsenide semiconductor alloys

Moufdi Hadjab

^a,b,∗

, Smail Berrah

^c

, Hamza Abid

^a

, Mohamed Issam Ziane

^d

, Hamza Bennacer

^e

, Battal Gazi Yalcin

^f

aAppliedMaterialsLaboratory,ResearchCenter,UniversityDjillaliLiabes,22000SidiBelAbbes,Algeria

bThinFilmsDevelopmentandApplicationsUnitUDCMA,Setif−ResearchCenterinIndustrialTechnologiesCRTI,P.O.Box64,Cheraga 16014,Algiers,Algeria

cMasteryRenewableEnergiesLaboratoryLMER,UniversityofA.Mira,Bejaia6000,Algeria

dUniversityDjillaliLiabesofSidiBelAbbes,ElectronicDepartment,22000,Algeria

eUniversityofMsila,FacultyofTechnology,28000,Algeria

fDepartmentofPhysics,SakaryaUniversity,EsentepeCampus,54187Sakarya,Turkey

a r t i c l e i n f o

Articlehistory:

Received10May2016 Accepted5July2016

Keywords:

Ab-initio DFT Cubic

InxGa1−xAsalloys Structuralparameters Optoelectronicproperties

a b s t r a c t

Inthiswork,thefirst-principlecalculationshavebeenperformedtopredictthestructural, electronicandopticalpropertiesofcubicInxGa1−xAsfor0≤x≤1,using16-atomwithin theFullPotentialLinearizedAugmentedPlaneWave(FP-LAPW)methodbasedonDensity FunctionalTheory(DFT)asimplementedinWIEN2kcomputationalcode.TheLocalDen- sityApproximation(LDA)andWu–CohenGeneralizedGradientApproximation(WC–GGA) wereemployedastheexchange–correlationtermtocalculatethestructuralandelectronic properties.Moreover,theEngel–VoskoGGA(EV-GGA)andtherecentlymodifiedsemi–local Becke–Johnson(mBJ)functionalwerealsousedtocomputetheelectronicandopticalprop- ertiesinordertogetsomebetterdegreeofprecision.Therealandtheimaginarypartsof thedielectricfunction,refractiveindex,extinctioncoefficient,reflectivity,absorptioncoef- ficientandopticalconductivitywerecalculatedtodiscussthelinearopticalpropertiesof InxGa1−xAsalloys.Theachievedresultsshowagreatpotentialutilizationinoptoelectronic devicesespeciallyininfraredapplications.

1. Introduction

Currently,theIII–VSemiconductorsmaterialsbasedonGaAs,InAsandtheirternaryalloysInxGa₁−xAsarepromising materialsinvastscientificandtechnologicalusefulnessbecauseoftheirpotentialuseinphotonic,electronicandoptoelec- tronicdevices,suchas,BlueandGreenLight-EmittingDiode[1],MetalInsulatorSemiconductorPhotodetectors,[2],thin filmssolarcells[3,4],diodelasers[5,6],ElectroopticWaveguideModulators[7,8],High-Electron-Mobility-Transistor(HEMT) [9]andmetal–oxide–semiconductorcapacitor(MOSCAP)[10].Inrecentyears,someexperimentalandtheoreticalworks havebeenpublishedaboutthephysicalpropertiesofthesecompounds.Kumaretal.[11]haveinvestigatedsomeofthese

∗ Correspondingauthorat:AppliedMaterialsLaboratory,ResearchCenter,UniversityDjillaliLiabes,22000SidiBelAbbes,Algeria.

E-mailaddress:moufdi84@yahoo.fr(M.Hadjab).

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