Related papers: Size, Shape and Low Energy Electronic Structure of…
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…
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,…
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…
We investigate curvature effects on geometric parameters, energetics and electronic structure of zigzag nanotubes with fully optimized geometries from first-principle calculations. The calculated curvature energies, which are inversely…
We present an analytical description of pi electrons of a finite size bilayer graphene within a framework of the tight-binding model. The bilayered structures considered here are characterized by a rectangular geometry and have a finite…
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…
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…
The importance of finite-size effects for the electronic structure of long zigzag and armchair carbon nanotubes is studied. We analyze the electronic structure of capped (6,6), (8,0), and (9,0) single walled carbon nanotubes as a function…
We develop a long wavelength approximation in order to describe the low-energy states of carbon nanotubes in a transverse magnetic field. We show that, in the limit where the square of the magnetic length $l = \sqrt{\hbar c /e B}$ is much…
The effects of graphite surface geometrical deformation on the dynamics of conducting electrons are investigated theoretically. The analysis is performed within the framework of a deformation-induced gauge field and corresponding…
Low energy excitations in carbon nanotubes can be described by an effective field theory of two components spinor. It is pointed out that the chiral anomaly in 1+1 dimensions should be observed in a metallic toroidal carbon nanotube on a…
We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified…
Atomistic simulations using a combination of classical forcefield and Density-Functional-Theory (DFT) show that carbon atoms remain essentially sp2 coordinated in either bent tubes or tubes pushed by an atomically sharp AFM tip. Subsequent…
Recent fluorescence spectroscopy experiments on single wall carbon nanotubes reveal substantial deviations of observed absorption and emission energies from predictions of noninteracting models of the electronic structure. Nonetheless, the…
Carbon nanotubes provide a unique system to study one-dimensional quantization phenomena. Scanning tunneling microscopy is used to observe the electronic wave functions that correspond to quantized energy levels in short metallic carbon…
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…
Carrier injection into carbon nanotubes and graphene nanoribbons, contacted by a metal coating over an arbitrary length, is studied by various means: Minimal models allow for exact analytic solutions which can be transferred to the original…
We theoretically investigate the influence of defect-induced long-range deformations in carbon nanotubes on their electronic transport properties. To this end we perform numerical ab-initio calculations using a density-functional-based…
We have evaluated the energies required to twist carbon nanotubes (NTs), and investigated the effects of these distortions on their electronic structure and electrical properties. The computed distortion energies are high, indicating that…
For the first time, an approach is suggested for the quantitative description of the electronic structure of single-walled carbon nanotubes and the prediction of active sites for the tube controlled functionalization in view of the tube…