Role of contact bonding on electronic transport in metal-carbon nanotube-metal systems

摘要: We have investigated the effects of interfacial bond arrangement on electronic transport features metal–nanotube–metal systems. The properties finite, defect-free armchair and zigzag single-walled carbon nanotubes attached to Au(111) metallic contacts been calculated by means non-equilibrium Green functional formalism with tight-binding extended Huckel Hamiltonians. Our calculations show that electrode material is not only factor which rules contact transparency. Indeed, for same electrode, but changing nanotube helicities, we observed an overall complex behaviour transmission spectra due band mixing interference. A comparison two models shows approach fails give a satisfactory representation function when more accurate description C–C Au–C chemical bonds has be considered. furthermore examined effect interface geometry variance conduction found contact–nanotube distance significant impact, while symmetry plays marginal, yet evident role.