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1、Electrostaticpropertiesandcurrenttransportoftwo-dimensionalSchottkybarrierdiodeFangboXu,AlexKutana,YangYang,BorisI.Yakobson()DepartmentofMaterialsScience&NanoEngineering,RiceUniversity,Houston,TX77005()biy@rice.eduAbstractRecentlydemonstratedmetal-semiconductorheterojunction
2、swithfew-atomthicknessshowtheirpromiseas2DSchottkycontactsforfutureintegratedcircuitsandnanoelectronics.Thetheoryfor3DSchottkycontacts,however,failsontheselow-dimensionalsystems.Here,weproposeanewmodelthatyieldscarrierdistributionandpotentialprofileacrossthe2Dmetal-semiconduct
3、orheterojunctionundertheequilibriumcondition,basedontheinputfromfirst-principlecalculations.Ourcalculationsuggeststhat,atthesameforwardbias,thecurrentdensityofastackof2Dgraphene-phosphoreneSchottkydiodesmaybetenthousandtimeshigherthanthatofatraditional3DSchottkydiodeandofferle
4、ssenergydissipation.1Schottkybarrierdiodes(SBD)havebeenindispensableinpower-rectificationandradio-1,2,3,4,5,6,7frequencyapplications.Asthree-dimensionalintegratedcircuits,whichverticallystacklayersofelectroniccomponents,hasbeenwidelyrecognizedinrecent8,9,1011,12,13years,2Dmate
5、rialsholdgreatpromise.Inparticular,somenew2Dsemiconductors,suchasphosphoreneandmonolayertransition-metaldichalcogenides14,15,16(MoS2,WSe2,etc.),havemoderatebandgaps(1-2eV)andhighcarriermobilities,andmaybeusedtoform2DSchottkycontacts.Seamlesslateral2Dheterojunctionsofgraphenean
6、d2Dsemiconductorshavebeendemonstratedexperimentallybyemploying17,18conventionalphotolithography.However,thelawsgoverning3DSBDsfailqualitativelyinlow-dimensionalcases.Forinstance,iterroneouslypredictsnon-trivialelectricfieldoutsidethespacechargeregion19(SCR).Also,first-principl
7、ecalculationsprovedtobeprohibitivelyexpensivetostudy20,21,22energybandoffsets.Tothisend,wederiveagenericmodelofa2DSBDandevaluateitselectrostaticsandI-Vcurves(Thesystem-definedcarrier-capturingedgestatesareneglected).Thenweapplythismodeltocharacterizethenovelfeaturesofa2DSBDfor
8、medbygrapheneandphosphorene.Inthe3DSBDmodel,theelectricfieldb
