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Register a new userConductance of Distorted Carbon Nanotubes
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We have calculated the effects of structural distortions of armchair carbon nanotubes on their electrical transport properties. We found that the bending of the nanotubes decreases their transmission function in certain energy ranges and leads to an increased electrical resistance. Electronic structure calculations show that these energy ranges contain localized states with significant $sigma$-$pi$ hybridization resulting from the increased curvature produced by bending. Our calculations of the contact resistance show that the large contact resistances observed for SWNTs are likely due to the weak coupling of the NT to the metal in side bonded NT-metal configurations.
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We use DFT to study the effect of molecular adsorbates on the conductance of metallic carbon nanotubes. The five molecules considered (NO2, NH2, H, COOH, OH) lead to similar scattering of the electrons. The adsorption of a single molecule suppresses one of the two available channels of the CNT at low bias conductance. If more molecules are adsorbed on the same sublattice, the remaining open channel can be blocked or not, depending on the relative position of the adsorbates. If a simple geometric condition is fulfilled this channel is still open, even after adsorbing an arbitrary number of molecules.
We investigate the effects of impurity scattering on the conductance of metallic carbon nanotubes as a function of the relative separation of the impurities. First we compute the conductance of a clean (6,6) tube, and the effect of model gold contacts on this conductance. Then, we compute the effect of introducing a single, two, and three oxygen atom impurities. We find that the conductance of a single-oxygen-doped (6,6) nanotube decreases by about 30 % with respect to that of the perfect nanotube. The presence of a second doping atom induces strong changes of the conductance which, however, depend very strongly on the relative position of the two oxygen atoms. We observe regular oscillations of the conductance that repeat over an O-O distance that corresponds to an integral number of half Fermi-wavelengths ($mlambda_F/2$). These fluctuations reflect strong electron interference phenomena produced by electron scattering from the oxygen defects whose contribution to the resistance of the tube cannot be obtained by simply summing up their individual contributions.
We present a comprehensive study of the properties of the off-resonant conductance spectrum in oligomer nanojunctions between graphitic electrodes. By employing first-principle-based methods and the Landauer approach of quantum transport, we identify how the electronic structure of the molecular junction components is reflected in electron transport across such systems. For virtually all energies within the conduction gap of the corresponding idealised polymer chain, we show that: a) the inverse decay length of the tunnelling conductance is intrinsically defined by the complex-band structure of the molecular wire despite ultrashort oligomer lengths of few monomer units, and b) the contact conductance crucially depends on both the local density of states on the metal side and the realised interfacial contact.
We have prepared solutions of multiwalled carbon nanotubes in Aroclor 1254, a mixture of polychlorinated biphenyls. The solutions are stable at room temperature. Transport measurements were performed using a scanning--tunneling probe on a sample prepared by spin--coating of the solution on gold substrates. Conductance steps were clearly seen. An histogram of a high number of traces shows maximum peaks at integer values of the conductance quantum $G_0 = 2e^2/h$, demonstrating ballistic transport at room temperature along the carbon nanotube over distances longer than $1.4mu m$.
Effect of contact interfaces, between metallic single-wall carbon nanotubes (SWCNT) and external electrodes made also of nanotubes, on the electrical conductance is studied. A tight-binding model with both diagonal and off-diagonal disorder, a recursive Green function technique as well as the Landauer formalism are used. The studies are carried out within the coherent transport regime and are focused on: (i) evolution from conductance quantization to resonant tunneling, (ii) SWCNTs length effects and (iii) magnetoresistance. It is shown that the so-called on-resonance devices, i.e. nanotubes having a conductance peak at the Fermi energy, occur with a period of 3 carbon inter-ring spacings. Additionally, the present approach provides an insight into magnetoresistance dependence of SWCNTs on conditions at the contact interface.
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