Graphene nanoribbon intercalated with hexagonal boron nitride：Electronic transport properties from ab initio calculations

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1、SolidStateCommunications173(2013)24–29ContentslistsavailableatScienceDirectSolidStateCommunicationsjournalhomepage:www.elsevier.com/locate/sscGraphenenanoribbonintercalatedwithhexagonalboronnitride:Electronictransportpropertiesfromabinitiocalculationsaba,cJoséEduardoPadilha,Renato

2、BorgesPontes,AntônioJoséRoquedaSilva,a,nAdalbertoFazzioaInstitutodeFísica,UniversidadedeSãoPaulo,CP66318,05315-970SãoPaulo,SP,BrazilbInstitutodeFísica,UniversidadeFederaldeGoiás,CP131,74001-970Goiânia,GO,BrazilcLaboratórioNacionaldeLuzSíncrotron,CP6192,13083-970Campinas,SP,Brazila

3、rticleinfoabstractArticlehistory:Amagnetictunneljunctionconsistingofaboronnitridenanoribboncontactedbytwosemi-infiniteReceived15April2013electrodescomposedof(3,0)ferromagneticzig-zaggraphenenanoribbonswasinvestigated.PerformingReceivedinrevisedformspin-polarizedabinitiotransportcal

4、culationsbasedonaschemethatcombinesnon-equilibriumGreen's17June2013functionwithdensityfunctionaltheory(NEGFþDFT)wepredictthatsuchsystemcouldactasspin-filterAccepted23August20135(theefficiencyreaches50%)andpresentamagnetoristanceof10%,dependingonthelengthoftheboronbyUmeshWaghmareAvai

5、lableonline5September2013nitrideregion.&2013ElsevierLtd.Allrightsreserved.Keywords:A.GraphenenanoribbonsA.HexagonalboronnitrideD.MagnetictunneljunctionE.DFTþNEGFtransportcalculations1.IntroductionMotivatedbyrecentexperimentalrealizationsthatsynthesizedstructurescomposedofgraphenea

6、ndhexagonalboronnitrideAsinglelayerofgraphite,namedgraphene,receivedthe[24,25],sometheoreticalworkshaveinvestigatedsystemscom-attentionofthecondensedmatterphysicscommunitysinceitsposedofboronnitridenanoribbons(BNNR)andgraphenenanor-firstisolationduetoitsfascinatingproperties[1–3].T

7、hecollectiveibbons(GNR)connectedinparallel[26–29].Moreover,arecentbehaviorofelectronsaddedtoahoneycombatomicstructureworktreatedheterostructurescomposedofBNNRandGNRcon-makesgrapheneasingularmaterialwithstrongpotentialfornectedinseries,wheretheauthorsexploredthetransportproper-tech

8、nologicalapplications.Duetoasmall