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Geometrical structure effect on localization length of carbon nanotubes

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 Added by H. T. Lu
 Publication date 2004
  fields Physics
and research's language is English




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The localization length and density of states of carbon nanotubes are evaluated within the tight-binding approximation. By comparison with the corresponding results for the square lattice tubes, it is found that the hexagonal structure affects strongly the behaviors of the density of states and localization lengths of 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.
Pristine single-walled carbon nanotubes (SWCNTs) are rather inert to O$_2$ and N$_2$, which for low doses chemisorb only on defect sites or vacancies of the SWCNTs at the ppm level. However, very low doping has a major effect on the electronic properties and conductivity of the SWCNTs. Already at low O$_2$ doses (80 L), the X-ray photoelectron spectroscopy (XPS) O 1s signal becomes saturated, indicating nearly all the SWCNTs vacancies have been oxidized. As a result, probing vacancy oxidation on SWCNTs via XPS yields spectra with rather low signal-to-noise ratios, even for metallicity-sorted SWCNTs. We show that, even under these conditions, the first principles density functional theory calculated Kohn-Sham O 1s binding energies may be used to assign the XPS O 1s spectra for oxidized vacancies on SWCNTs into its individual components. This allows one to determine the specific functional groups or bonding environments measured. We find the XPS O 1s signal is mostly due to three O-containing functional groups on SWCNT vacancies: epoxy (C$_2$$>$O), carbonyl (C$_2$$>$C$=$O), and ketene (C$=$C$=$O), as ordered by abundance. Upon oxidation of nearly all the SWCNTs vacancies, the central peaks intensity for the metallic SWCNT sample is 60% greater than for the semiconducting SWCNT sample. This suggests a greater abundance of O-containing defect structures on the metallic SWCNT sample. For both metallic and semiconducting SWCNTs, we find O$_2$ does not contribute to the measured XPS O~1s spectra.
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.
Allotropes of carbon, including one-dimensional carbon nanotubes and two-dimensional graphene sheets, continue to draw attention as promising platforms for probing the physics of electrons in lower dimensions. Recent research has shown that the electronic properties of graphene multilayers are exquisitely sensitive to the relative orientation between sheets, and in the bilayer case exhibit strong electronic correlations when close to a magic twist angle. Here, we investigate the electronic properties of a carbon nanotube deposited on a graphene sheet by deriving a low-energy theory that accounts both for rotations and rigid displacements of the nanotube with respect to the underlying graphene layer. We show that this heterostructure is described by a translationally invariant, a periodic or a quasi-periodic Hamiltonian, depending on the orientation and the chirality of the nanotube. Furthermore, we find that, even for a vanishing twist angle, rigid displacements of a nanotube with respect to a graphene substrate can alter its electronic structure qualitatively. Our results identify a promising new direction for strong correlation physics in low dimensions.
186 - A. V. Dolbin 2011
The effect of oxygen impurities upon the radial thermal expansion (ar) of bundles of closed single-walled carbon nanotubes has been investigated in the temperature interval 2.2-48 K by the dilatometric method. Saturation of bundles of nanotubes with oxygen caused an increase in the positive ar-values in the whole interval of temperatures used. Also, several peaks appeared in the temperature dependence ar(T) above 20 K. The low temperature desorption of oxygen from powders consisting of bundles of single-walled nanotubes with open and closed ends has been investigated
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