Related papers: Impurity effects in twisted carbon nanotubes
We investigate the electronic and magnetic properties of hydrogenated carbon nanotubes using ab initio spin-polarized calculations within both the local density approximation (LDA) and the generalized gradient approximation (GGA). We find…
A mechanically bistable single-walled carbon nanotube can act as a variable-shaped capacitor with a voltage-controlled transition between collapsed and inflated states. This external control parameter provides a means to tune the system so…
Three problems are considered in which inhomogeneous broadening can yield unusual consequences. One problem involves the energy levels of atoms moving within nanopores of nearly cylindrical cross section. A second involves atomic or…
We report a computational study, using the "moments method" [Y. Gao and M. Daw, Modelling Simul. Mater. Sci. Eng. 23 045002 (2015)], of the anharmonicity of the vibrational modes of single-walled carbon nanotubes. We find that modes with…
While impurity has been known widely to affect phase transitions, the atomistic mechanisms have rarely been disclosed. We directly show in atomic scale how impurity atoms induces the condensation of a representative electronic phase, charge…
We systematically investigate the relationships between structural and electronic effects of finite size zigzag or armchair carbon nanotubes of various diameters and lengths, starting from a molecular template of varying shape and diameter,…
A study is presented of the effects of gas (especially H2) absorption within the interstitial channels of a bundle of carbon nanotubes. The ground state of the system is determined by minimizing the total energy, which includes the…
In this work we are interested to studying the Kondo effect present in a system with a $T$-shape ligation between a single-wall carbon nanotube (SWNT) and a magnetic impurity. The system has been studied under hydrostatic pressure and it…
We propose a new theoretical interpretation of the electron energy-loss spectroscopy results of Pichler {\it et al.} on bulk carbon nanotube samples. The experimentally found nondispersive modes have been attributed by Pichler {\it et al.}…
The gap oscillations caused by a magnetic flux penetrating a carbon nanotube represent one of the most spectacular observation of the Aharonov-Bohm effect at the nano--scale. Our understanding of this effect is, however, based on the…
We study the electronic transport through uniformly bent carbon nanotubes. For this purpose, we describe the nanotube with the tight-binding model and calculate the local current flow by employing non-equilibrium Green's functions (NEGF) in…
Analytical solutions of the edge states were obtained for the (N, 0) type carbon nanotubes with distorted ending bonds. It was found that the edge states are mixed via the distortion. The total energies for N=5 and N>=7 are lower in the…
We report a detailed investigation of the interplay between size quantization and local scattering centers in graphene nanoribbons, as seen in the local density of states. The spectral signatures, obtained after Fourier transformation of…
This paper applies a symmetry-adapted method to examine the influence of deformation and defects on the electronic structure and band structure in carbon nanotubes. First, the symmetry-adapted approach is used to develop the analog of Bloch…
We consider chirality related effects in optical, photogalvanic and electron-transport properties of carbon nanotubes. We show that these properties of chiral nanotubes are determined by terms in the electron effective Hamiltonian…
We study theoretically the electrical transport between aligned carbon nanotubes in nanotube ropes, and between shells in multiwall carbon nanotubes. We focus on transport between two metallic nanotubes (or shells) of different chiralities…
We study spin-orbit proximity effects in an armchair (4,4) carbon nanotube on the Pt(111) surface. By employing first-principles calculations, we show that the Dirac cone of the metallic nanotube is altered due to strong hybridization with…
The effects of nonmagnetic impurity on the spin excitation spectra in a $d_{x^2-y^2}$-wave superconductor are examined, using the self-consistent $t$-matrix approximation. It is shown that the impurity self-energy acts to shift the position…
The objective of the present paper is to investigate interface effects in carbon nanotubes. We use both real and k-space tight binding method. We study in detail the effect of wrapping vector on the electronic properties. We analyze the…
The electronic structure of finite-length armchair carbon nanotubes has been studied using several ab-initio and semi-empirical quantum computational techniques. The additional confinement of the electrons along the tube axis leads to the…