The Effect of Structural Distortions on the Electronic Structure of Carbon Nanotubes

We calculated the effects of structural distortions on the electronic structure of carbon nanotubes. The key modification of the electronic structure brought about by bending a nanotube involves an increased mixing of $\sigma$ and $\pi$-states. This mixing leads to an enhanced density-of-states in the valence band near the Fermi energy region. While in a straight tube the states accessible for electrical conduction are essentially pure C($2p_{\pi}$)-states, they acquire significant C($2sp_{\sigma}$) character upon bending. Bending also leads to a charge polarization of the C-C bonds in the deformed region reminiscent of interface dipole formation. Scattering of conduction electrons at the distorted regions may lead to electron localization at low temperatures.Comment: 11 pages and 4 figures, (figure 4 corrected

The structure relaxation of carbon nanotube

A simple macroscopic continuum elasticity theory (CET) is used to calculate the structure relaxation of single-wall carbon nanotube (SWNT), an analytic formula is obtained. We also expand an atomic scale three-parameter empirical model [ T. Lenosky {\emph et al.} Nature 355, 333(1992)] in order to correctly describe the bond-length change effects. The structure relaxation of SWNT expected by the model is good in agreement with our CET results, and very well consistent with the previous calculation from a first principles local density function approximation. Using the expanded Lenosky model, we calculate the strain energy of bending tube. The obtained results are good in agreement with the previous theoretical expectation. It shows the model may be a good simple replacement of some more sophisticated methods on determining carbon networks deformations.Comment: 9 pages, 4 eps figure

Electronic states of metallic and semiconducting carbon nanotubes with bond and site disorder

Disorder effects on the density of states in carbon nanotubes are analyzed by a tight binding model with Gaussian bond or site disorder. Metallic armchair and semiconducting zigzag nanotubes are investigated. In the strong disorder limit, the conduction and valence band states merge, and a finite density of states appears at the Fermi energy in both of metallic and semiconducting carbon nanotubes. The bond disorder gives rise to a huge density of states at the Fermi energy differently from that of the site disorder case. Consequences for experiments are discussed.Comment: Phys. Rev. B: Brief Reports (to be published). Related preprints can be found at http://www.etl.go.jp/~harigaya/NEW.htm

Van Hove Singularities in disordered multichannel quantum wires and nanotubes

We present a theory for the van Hove singularity (VHS) in the tunneling density of states (TDOS) of disordered multichannel quantum wires, in particular multi-wall carbon nanotubes. We assume close-by gates which screen off electron-electron interactions. Diagrammatic perturbation theory within a non-crossing approximation yields analytical expressions governing the disorder-induced broadening and shift of VHS's as new subbands are opened. This problem is nontrivial because the (lowest-order) Born approximation breaks down close to the VHS. Interestingly, compared to the bulk case, the boundary TDOS shows drastically altered VHS, even in the clean limit.Comment: 4 pages, 2 figures, accepted with revisions in PR

Magnetoresistance Effect in Spin-Polarized Junctions of Ferromagnetically Contacting Multiple Conductive Paths: Applications to Atomic Wires and Carbon Nanotubes

For spin-polarized junctions of ferromagnetically contacting multiple conductive paths, such as ferromagnet (FM)/atomic wires/FM and FM/carbon nanotubes/FM junctions, we theoretically investigate spin-dependent transport to elucidate the intrinsic relation between the number of paths and conduction, and to enhance the magnetoresistance (MR) ratio. When many paths are randomly located between the two FMs, electronic wave interference between the FMs appears, and then the MR ratio increases with increasing number of paths. Furthermore, at each number of paths, the MR ratio for carbon nanotubes becomes larger than that for atomic wires, reflecting the characteristic shape of points in contact with the FM.Comment: 7 pages, 3 figures, accepted for publication in Phys. Rev.

Multiple Functionality in Nanotube Transistors

Calculations of quantum transport in a carbon nanotube transistor show that such a device offers unique functionality. It can operate as a ballistic field-effect transistor, with excellent characteristics even when scaled to 10 nm dimensions. At larger gate voltages, channel inversion leads to resonant tunneling through an electrostatically defined nanoscale quantum dot. Thus the transistor becomes a gated resonant tunelling device, with negative differential resistance at a tunable threshold. For the dimensions considered here, the device operates in the Coulomb blockade regime, even at room temperature.Comment: To appear in Phys. Rev. Let

Negative differential resistance in nanotube devices

Carbon nanotube junctions are predicted to exhibit negative differential resistance, with very high peak-to-valley current ratios even at room temperature. We treat both nanotube p-n junctions and undoped metal-nanotube-metal junctions, calculating quantum transport through the self-consistent potential within a tight-binding approximation. The undoped junctions in particular may be suitable for device integration.Comment: 4 pages, 4 figures, to appear in Physical Review Letter

Charge Screening Effect in Metallic Carbon Nanotubes

Charge screening effect in metallic carbon nanotubes is investigated in a model including the one-dimensional long-range Coulomb interaction. It is pointed out that an external charge which is being fixed spatially is screened by internal electrons so that the resulting object becomes electrically neutral. We found that the screening length is given by about the diameter of a nanotube.Comment: 11 pages, 6 figure

Oscillator Strength of Metallic Carbon Nanotubes

Based on the tight binding method with hopping integral between the nearest-neighbor atoms, an oscillator strength \int_0^{\infty} \d \omega {\rm Re} \sigma (\omega) is discussed for armchair and metallic zigzag carbon nanotubes. The formulae of the oscillator strength are derived for both types of nanotubes and are compared with the result obtained by a linear chain model. In addition, the doping dependence is investigated in the absence of Coulomb interaction. It is shown that the oscillator strength of each carbon nanotube shows qualitatively the same doping dependence, but the fine structure is different due to it's own peculiar band structure. Some relations independent of the radius of the tube are derived, and a useful formula for determining the amount of doping is proposed.Comment: 4 pages, 4 figures, submitted to J. Phys. Soc. Jpn. at June 30, 200

Universality of electron correlations in conducting carbon nanotubes

Effective low-energy Hamiltonian of interacting electrons in conducting single-wall carbon nanotubes with arbitrary chirality is derived from the microscopic lattice model. The parameters of the Hamiltonian show very weak dependence on the chiral angle, which makes the low energy properties of conducting chiral nanotubes universal. The strongest Mott-like electron instability at half filling is investigated within the self-consistent harmonic approximation. The energy gaps occur in all modes of elementary excitations and estimate at $0.01-0.1$ eV.Comment: 4 pages, 2 figure