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1、Eur.Phys.J.B(2015)88:147THEEUROPEANDOI:10.1140/epjb/e2015-60064-yPHYSICALJOURNALBRegularArticleElectronicstructureandopticalpropertiesofboron-sulfursymmetriccodopingin4×4graphenesystemsChenHuang1,LihongHan1,LiyuanWu1,RuiSu2,JunChen2,andPengfeiLu1,a1StateKeyLaboratoryofInformationPhotonicsan
2、dOpticalCommunications,MinistryofEducation,BeijingUniversityofPostsandTelecommunications,P.O.Box72,Beijing100876,P.R.China2BeijingAppliedPhysicsandComputationalMathematics,Beijing100088,P.R.ChinaReceived22January2015/Receivedinfinalform13April2015Publishedonline8June2015–cEDPSciences,Societ
3、`aItalianadiFisica,Springer-Verlag2015Abstract.Theelectronicstructureandopticalpropertiesofboron-doped,sulfur-doped,andboron-sulfur-codopedgraphenesystemshavebeenstudiedbyusingfirst-principlescalculations.Energybandstructureanddensityofstatesarepresentedtodescribetheelectronicproperties.Thed
4、opingcanopenthebandgapandchangetheopticalpropertiesofgraphene.Forallopticalpropertiesofdopedgraphenesystems,parallel(E)polarizationandperpendicular(E⊥)polarizationarepresented.Theopticalpropertiesundertwokindsofpolarizationsarereflectedintherangeofpeakheightandthechangeofsomeextraordinaryfe
5、atures.1Introductionn-typecarbon[16,17]materials.Basedonfirst-principlescalculations,aseriesoftheoreticalstudieshavebeenper-Inthepastdecades,lotsoftheoreticalandexperimen-formedinvariouspropertiesofgraphenesuchasthedopedtalworkshavestudiedthehugepotentialandprominentgraphenesheet[18,19],dopi
6、ngeffectsonpristinegrapheneapplicationofgraphene[1–4].Asatwodimensionalma-mayreflectedintheelectricstructureandopticalproper-terial[5],itisbelievedtobeapromisingcandidateinties.However,therearefewtheoreticalinvestigationsofthefieldofnanoscaleelectronicdevicesandmaterialsci-B-Spairdopantandthem
7、odificationsofopticalproper-ence[6,7].Graphenebelongstothebasicgraphiticformties.Themainmotivationofthispaperistogiveasys-ofcarbon[8],anditsapplicationshavebeenextendedtotematicinvestigationontheelectronicstructureandop-fieldeffecttransistors(FET)[9],fuelce
