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1、JournaloftheMechanicsandPhysicsofSolids52(2004)1–26www.elsevier.com/locate/jmpsThein%uenceofmechanicaldeformationontheelectricalpropertiesofsinglewallcarbonnanotubesB.Liu,H.Jiang,H.T.Johnson∗,Y.HuangDepartmentofMechanicalandIndustrialEngineering,UniversityofIllinois,Urbana,IL61801,USARec
2、eived2November2002;accepted1July2003AbstractRecentexperimentalstudiesandatomisticsimulationshaveshownthatcarbonnanotubes(CNTs)displaystronginterplaybetweenthemechanicaldeformationandelectricalproperties.WehavedevelopedasimpleandaccuratemethodtodetermineatompositionsinauniformlydeformedCN
3、Tviaacontinuumanalysisbasedontheinteratomicpotential.Ashiftvectorisintroducedtoensuretheequilibriumofatoms.Suchanapproach,involvingonlythreevariablesfortheentireCNT,agreesverywellwiththemolecularmechanicscalculations.Wethenstudythee6ectofmechanicaldeformationonthebandgapchangeofsinglewal
4、lCNTsunderten-sion,torsion,andcombinedtension/torsionviathek-spacetight-bindingmethod.Priorstudieswithoutthisshiftvectorleadtosigni9cantoverestimationofthebandgapchange.Itisestab-lishedthattheconductingCNTsmayeasilybecomesemi-conductingonessubjecttomechanicaldeformation,butthesemi-conduc
5、tingCNTsneverbecomeconductingonesupondeformation.?2003ElsevierLtd.Allrightsreserved.Keywords:Carbonnanotube;Electromechanicalprocesses;Continuumanalysis;Tight-binding;Semiconductormaterial1.IntroductionCarbonnanotubes(CNTs)havereceivedsigni9cantattentionsincetheir9rstdiscov-eryadecadeago
6、(Iijima,1991).CNTsdisplaysuperiormechanicalproperties,suchasultrahighelasticmoduli,strength,andlowmassdensity,andhavepotentialap-plicationsincompositematerialsandothermechanicalsystems.CNTshaveuniqueelectricalproperties,andcanserveascandidatesfornano-electronicdevicessuchas∗Corresponding
7、author.E-mailaddress:htj@uiuc.edu(H.T.Johnson).0022-5096/$-seefrontmatter?2003ElsevierLtd.Allrightsreserved.doi:10.1016/S0022-5096(03)00112-12B.Liuetal./J.Mech.Phys.Solids52(2004)1–26nanoscale9eld-e6ecttransistors(Collinsetal.,2001;Rosenblattetal.,2002).CNTsalsodisplayuni
