Related papers: First Principles Calculation of Field Emission fro…
The complete energy expression of a deformed single-walled carbon nanotube (SWNT) is derived in the continuum limit from the local density approximation model proposed by Lenosky {\it et al.} \lbrack Nature (London) {\bf 355}, 333…
Carbon Nanotubes (CNs) are made of tubular graphite layers. These macromolecules have interesting features which are generally introduced in the first chapter of the thesis. In the rest of the thesis, the light conduction in metallic CNs is…
We performed first principles calculations on work functions of single wall carbon nanotubes (SWNTs), which can be divided into two classes according to tube diameter (D). For class I tubes (D > 1 nm), work functions lie within a narrow…
We present a theoretical study of the directionality effects in spontaneous emission and resonance fluorescence of a quantum two-level dipole emitter near an ultrathin closely packed periodically aligned single-wall carbon nanotube film.…
We have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular dynamics based on time-dependent density…
A simple method to calculate the static electric polarization of single-walled carbon nanotube (SWNT) is obtained within the second-order perturbation approximation. The results are in agreement with the previous calculation within the…
Time-dependent density-functional theory (TDDFT) is a computationally efficient first-principles approach for calculating optical spectra in insulators and semiconductors, including excitonic effects. We show how exciton wave functions can…
We formulate and implement Cyclic Density Functional Theory (Cyclic DFT) -- a self-consistent first principles simulation method for nanostructures with cyclic symmetries. Using arguments based on Group Representation Theory, we rigorously…
The authors report on the use of carbon nanofiber nanoemitters to ionize deuterium atoms for the generation of neutrons in a deuterium-deuterium reaction in a preloaded target. Acceleration voltages in the range of 50-80 kV are used. Field…
A theory of the long wavelength low energy electronic structure of graphite-derived nanotubules is presented. The propagating $\pi$ electrons are described by wrapping a massless two dimensional Dirac Hamiltonian onto a curved surface. The…
The electron transport through the nanotube junctions which connect the different metallic nanotubes by a pair of a pentagonal defect and a heptagonal defect is investigated by Landauer's formula and the effective mass approximation. From…
We investigate the properties of conduction electrons in single-walled armchair carbon nanotubes in the presence of mutually orthogonal electric and magnetic fields transverse to the tube's axis. We find that the fields give rise to an…
Direct measurements of the diffusion length of excitons in air-suspended single-walled carbon nanotubes are reported. Photoluminescence microscopy is used to identify individual nanotubes and to determine their lengths and chiral indices.…
The basic properties of conducting electrons in carbon nanotubes are reviewed from a theoretical perspective, and studies performed on persistent currents in toroidal carbon nanotubes and on the local energy gap in deformed nanotubes are…
We discuss the local cutting of single-walled carbon nanotubes by a voltage pulse to the tip of a scanning tunneling microscope. The tip voltage ($\mid V \mid \ge $~3.8 eV) is the key physical quantity in the cutting process. After…
Optical emission from carbon nanotube transistors (CNTFETs) has recently attracted significant attention due to its potential applications. In this paper, we use a self-consistent numerical solution of the Boltzmann transport equation in…
We calculate the two-time current correlation function using the experimental data of the current-time characteristics of the Gas-DNA-decorated carbon nanotube field effect transistor. The pattern of the correlation function is a measure of…
We report measurements of the spatial dependence of the electron energy distribution in carbon nanotubes, from which electron interactions are determined. Using nonequilibrium tunneling spectroscopy with multiple superconducting probes, we…
We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the time-dependent marginal nuclear probability density…
The equilibrium density of fluids under nanoconfinement can differ substantially from their bulk density. Using a mean-field approach to describe the energetic landscape near the carbon nanotube (CNT) wall, we obtain analytical results…