Related papers: Peierls Instability in Carbon Nanotubes
Recent years have seen the development of several experimental systems capable of tuning local parameters of quantum Hamiltonians. Examples include ultracold atoms, trapped ions, superconducting circuits, and photonic crystals. By design,…
We employ first-principles calculations based density-functional-theory (DFT) approach to study electronic properties of partially and fully edge-hydrogenated armchair boron-nitrogen-carbon (BNC) nanoribbons (ABNCNRs), with widths between…
The appearance of a broad peak at $\sim$1550 cm$^{-1}$ (G$^{-}$ peak) in carbon nanotube resonant Raman scattering spectra has been conventionally attributed to the presence of metallic nanotubes. Here, we present resonant Raman…
A combination of ab initio simulations and linear-scaling Green's functions techniques is used to analyze the transport properties of long (up to one micron) carbon nanotubes with realistic disorder. The energetics and the influence of…
The phonon dispersion of chiral single wall carbon nanotubes has been obtained from $6\times 6$ dyanimic matrix. The present manuscript is the extension of G. D. Mahan and Gun Sang Jeon's work on armchair and zigzag nanotubes. [see P. R.…
Narrow antiresonances going to zero transmission are found to occur for general (2n,0)(n,n)(2n,0) carbon nanotube heterostructures, whereas the complementary configuration, (n,n)(2n,0)(n,n), displays simple resonant tunneling behaviour. We…
Observations of topological defects associated with Stone-Wales-type transformations (i.e., bond rotations) in high resolution transmission electron microscopy (HRTEM) images of carbon nanostructures are at odds with the equilibrium…
The Peierls distortions in a two-dimensional electron-lattice system described by a Su-Schrieffer-Heeger type model extended to two-dimensions are numerically studied for a square lattice. The electronic band is just half-filled and the…
The stabilization of carbon nanotubes via the filling with inner tubes is demonstrated by probing the optical transitions in double-walled carbon nanotube bundles under hydrostatic pressure with optical spectroscopy. Double-walled carbon…
Two-dimensional alloys of carbon and nitrogen represent an urgent interest due to prospective applications in nanomechanical and optoelectronic devices. Stability of these chemical structures must be understood as a function of their…
In this paper, we apply the first-principle theory to explore how the electronic structures of armchair graphene nanoribbons (AGNRs) are affected by chemical modifications. The edge addends include H, F, N, NH$_{2}$, and NO$_{2}$. Our…
Density functional methods have been used to calculate the electronic properties of aligned smalldiameter single-walled carbon nanotubes under hydrostatic pressures. Abrupt pressure induced semiconductor-metal and metal-semiconductor…
Usually, in optical spectra of double-walled carbon nanotubes (DWCNTs) weak van der Waals coupling between the layers leads only to a small shift of transition energies with respect to their values in pristine single-walled nanotubes.…
We consider the effects of Coulomb interactions on single-wall carbon nanotubes using an on-site Hubbard interaction, u. For the (N,N) armchair tubes the low energy theory is shown to be identical to a 2-chain Hubbard model at half-filling,…
We propose an ab-initio combination of the Linear Muffin-Tin Orbital and the Recursion Methods to study the effect of extended Stone-Wales defects in single layer Carbon nanotubes. We have successfully applied this to zigzag and armchair…
We study here polaron (soliton) states of electrons or holes in a model describing carbon-type nanotubes. In the Hamiltonian of the system we take into account the electron-phonon interaction that arises from the deformation dependencies of…
In 3D and 2D electronic systems the singular contribution to the static permittivity $\epsilon$ (Kohn singularity) is a small correction to the regular part of $\epsilon$ but it results in the leading term in asymptotic behavior of the…
The low-energy spectrum of graphene nanoribbons with armchair edges (armchair nanoribbons) is described as the superposition of two non-equivalent Dirac points of graphene. In spite of the lack of well-separated two valley structures, the…
We study the effect of torsional deformations on the electronic properties of single-walled transition metal dichalcogenide (TMD) nanotubes. In particular, considering forty-five select armchair and zigzag TMD nanotubes, we perform…
Interwall interaction energies, as well as barriers to relative sliding of the walls along the nanotube axis, are first calculated for pairs of both armchair or both zigzag adjacent walls of carbon nanotubes with a wide range of radiuses.…