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论文期刊

论文标题    First-principles studyontheelectronicandmagneticproperties of armchairgraphane/grapheneheterostructurenanoribbons
作者    W.X.Zhang, C.He*, T.Li
发表/完成日期    2015-04-03
期刊名称    Solid StateCommunications
期卷    211,（2015），23
相关文章    ssc20152.pdf   
论文简介    In thispaper,theelectronicandmagneticpropertiesofelectronicandmagneticpropertiesofarmchair graphane/grapheneheterostructurenanoribbons(AGA/GNRs)havebeensystematicallyinvestigatedby first-principles calculationsbasedondensityfunctionaltheory.Thecalculatedresultsindicatethat13- armchair graphanenanoribbon(13-AGANR),13-armchairgraphenenanoribbons(13-AGNR)andhybrid armchair graphane/graphenenanoribbons(AGA13x/GxNRs) arealldirectsemiconductors(13,13x and x are denotedasthenanoribbons’ widths). ThebandstructuresneartheFermilevelofAGA13x/GxNRs are mainlydeterminedbythegraphenesectionandtheatomicchargetransfersintheinterfaceof AGA13x/GxNRs arestronger.AGA7/G6NR withDBdefectsatAGANRedgeobviouslyaffectthemagnetic properties. Thesediverseandtunableelectronicandmagneticpropertiescanbeatheoreticalguidance for thedesignofnovelnanoelectronicdevices.
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