Related papers: Bandgaps of bent and buckled carbon nanotubes
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,…
We study the pseudogap present in cuprate and organic superconductors. We use the dynamical cluster approximation (DCA), treating a cluster embedded in a bath. As the Coulomb interaction is increased, cluster-bath Kondo states are destroyed…
Recently, TersoffCG, a coarse grain potential for graphene based on Tersoff potential, has been developed. In this work, we explore this potential, applying it to the case study of a single wall carbon nanotube. We performed a series 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 the effect of various defects and boundary structures on the low energy electronic properties in conducting zigzag and armchair carbon nanotubes. The tight binding model of the conduction bands is mapped exactly onto simple…
We study the conductance of carbon nanotube wires in the presence of disorder, in the limit of phase coherent transport. For this purpose, we have developed a simple numerical procedure to compute transmission through carbon nanotubes and…
One of the most essential aspects of cuprate superconductors is a large pseudogap coexisting with a superconducting gap, then some anomalous properties can be understood in terms of the formation of the pseudogap. Within the kinetic energy…
The bandgap and band bowing parameter of semiconductor alloys are calculated with a fast and realistic approach. The method is a dielectric scaling approximation that is based on a scissor approximation. It adds an energy shift to the…
The ability to control the size of the electronic bandgap is an integral part of solid-state technology. Atomically-thin two-dimensional crystals offer a new approach for tuning the energies of the electronic states based on the interplay…
Disorder effects on the density of states and electronic conduction in metallic carbon nanotubes are analyzed by a tight binding model with Gaussian bond disorder. Metallic armchair and zigzag nanotubes are considered. We obtain a…
The topological phase transition is theoretically studied in a metallic single-wall carbon nanotube (SWNT) by applying a magnetic field $B$ parallel to the tube. The $\mathbb{Z}$ topological invariant, winding number, is changed…
We present a theoretical study of the compressibility, $\kappa$, in a Fermi gas with attractive contact interactions, providing predictions for the strongly-attractive regime and the superfluid phase. Our work emphasizes the compressibility…
Compound semiconductor alloys of the type ABC find widespread applications as their electronic bulk band gap varies continuously with x, and therefore a tayloring of the energy gap is possible by variation of the concentration. We model the…
Electron properties of Carbon nanotubes in a transverse magnetic field are studied using a model of a massless Dirac particle on a cylinder. The problem possesses supersymmetry which protects low energy states and ensures stability of the…
By using the tight-binding model and non-equilibrium Green's function method (NEGF), we study the band structures and transport properties of a silicene nanoribbon with a line defect where a bulk energy gap is opened due to the sublattice…
We analyze the effects of sp^2/sp^3 bond-aspect ratio on the transport properties of amorphous carbon quasi-1D structures where structural disorder varies in a very non-linear manner with the effective bandgap. Using a tight-binding…
We use ab initio density functional calculations to study the formation and structural as well as thermal stability of cellular foam-like carbon nanostructures. These systems with a mixed $sp^2/sp^3$ bonding character may be viewed as…
The electronic band structures of two-dimensional materials are significantly different from those of their bulk counterparts, due to quantum confinement and strong modifications of electronic screening. An accurate determination of…
Zigzag edges of neutral armchair-oriented Graphene Nano-Ribbons show states strongly localized at those edges. They behave as free radicals that can capture electrons during processing, increasing ribbon's stability. Thus, charging and its…
The band-gap problem and other systematic failures of approximate functionals are explained from an analysis of total energy for fractional charges. The deviation from the correct intrinsic linear behavior in finite systems leads to…