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A two-probe system of the heterojunction formed by an(8,0)carbon nanotube(CNT)and an(8,0)silicon carbide nanotube(SiCNT)was established based on its optimized structure.By using a method combining nonequilibrium Green’s function(NEGF)with density functional theory(DFT),the transport properties of the heterojunction were investigated.Our study reveals that the highest occupied molecular orbital(HOMO)has a higher electron density on the CNT section and the lowest unoccupied molecular orbital(LUMO)mainly concentrates on the interface and the SiCNT section.The positive and negative threshold voltages are +1.8 and -2.2V,respectively.
A two-probe system of the heterojunction formed by an (8,0) carbon nanotube (CNT) and an (8,0) silicon carbide nanotube (SiNT) was established based on its optimized structure. Our study reveals that the highest occupied molecular orbital (HOMO) has a higher electron density on the CNT section and the lowest unoccupied molecular orbital (LUMO) mainly concentrates on the interface and the SiCNT section. The positive and negative threshold voltages are +1.8 and -2.2V, respectively.