Unusual Non-magnetic Metallic State in Narrow Silicon Carbon Nanoribbons by Electron or Hole Doping

Abstract

Weinvestigatedthewidth(N)dependenceonthemagnetizationofN-ZSiCNRwithelectronandholedoping onthebasisofsystematicDFTcalculations.Thecriticalvaluesoftheupperanddowncriticalconcentrationto givethemaximumandzeromagneticmomentatedgeSi/Catomsbyelectron/holedoping(xup,e,xdown,e,xup,h, andxdown,h)dependonthewidthofN-ZSiCNR.Moreover,duetoxup,e≠xup,handxdown,e≠xdown,h,theelectron andholedopingeffectareasymmetry,i.e,thecriticalelectrondopingvalue(xdown,e)issmallerthanthecritical holedopingvalue(xdown,h)andisalmostindependentofthewidthofNZSiCNRthoughtheothercriticalvalues oftheelectronandholedopingthatinfluencethemagnetizationofN-ZSiCNRdependonthewidth.Itwasalso foundthatatxdown,eorxdown,hdoping,theN-ZSiCNRturnsintounusualnon-magneticmetallicstate.The magneticbehaviorwasdiscussedbasedonthebandstructuresandprojecteddensityofstates(PDOS)under theeffectofelectron/holedoping.