相关论文: First Principles Calculation of Field Emission fro…
A variational solution of the coupled electron-phonon Boltzmann equations is used to calculate the phonon drag contribution to the thermopower in a 1-D system. A simple formula is derived for the temperature dependence of the phonon drag in…
We investigate electric-field induced redshifts of photoluminescence from individual single-walled carbon nanotubes. The shifts scale quadratically with field, while measurements with different excitation powers and energies show that…
High resolution molecular dynamics simulations with full Coulomb interactions of electrons are used to investigate field emission from a prolate spheroidal tip. The space charge limited current is several times lower than the current…
Electron microscopes have been improved to achieve ever smaller beam spots, a key parameter that determines the instrument's resolution. The techniques to measure the size of the beam, however, have not progressed to the same degree. There…
Parametric electron pump through superconductor-carbon-nanotube based molecular devices was investigated. It is found that a dc current, which is assisted by resonant Andreev reflection, can be pumped out from such molecular device by a…
We present photocurrent power-enhancement calculations of a carbon nanotube p-n junction electromagnetically coupled to a highly-efficient photonic structure. Particular attention is paid to a GaAs photonic structure specifically modified…
Linear chains of carbon atoms have been proposed as the electron emitting structures of open tip carbon nanotubes subject to an electric field. To better understand the implications of the results of Smalley and collaborators, the…
Current-density-functional theory is used to calculate ionization energies of current-carrying atomic states. A perturbative approximation to full current-density-functional theory is implemented for the first time, and found to be…
The electron density $n(\rb,t)$, which is the central tool of time-dependent density functional theory, is presently considered to be derivable from a one-body time-dependent potential $V(\rb,t)$, via one-electron wave functions satisfying…
Here we address a theoretical study on the behaviour of electronic states of heterojunctions and quantum dots based on carbon nanotubes under magnetic fields. Emphasis is put on the analysis of the local density of states, the conductance,…
We performed first principles density functional calculations and simulations of magic-size neutral NaCl nanocubes, and computed the the extraction of a Na neutral corner atom after donating an electron. The atomic structure of the…
This study investigates the spatio-temporal evolution of the electric field during the early stages of a nanosecond positive corona discharge in atmospheric-pressure air by combining time-resolved E-FISH measurements,…
We calculate the optical properties of carbon nanotubes in an external static electric field directed along the tube axis. We predict strong Franz-Keldysh oscillations in the first and second band-to-band absorption peaks, quadratic Stark…
We present a low energy-theory for non-linear transport in finite-size interacting single-wall carbon nanotubes. It is based on a microscopic model for the interacting p_z electrons and successive bosonization. We consider weak coupling to…
Phase shifts for single-channel elastic electron-atom scattering are derived from time-dependent density functional theory. The H$^-$ ion is placed in a spherical box, its discrete spectrum found, and phase shifts deduced. Exact-exchange…
New phenomenon of a weak energy localization of optical low-frequency oscillations in carbon nanotubes (CNT) is analytically predicted in the framework of continuum shell theory. This phenomenon takes place for CNTs of finite length with…
The interplay between discrete vibrational and electronic degrees of freedom directly influences the chemical and physical properties of molecular systems. This coupling is typically studied through optical methods such as fluorescence,…
We simulate numerically the classical charge dynamics in a microscopic, planar, vacuum diode with a finite emitter area and a finite number of electrons in the gap. We assume electrons are emitted under space-charge limited conditions with…
A 1 $\mu$m long, field emitting, (5,5) single-walled, carbon nanotube (SWCNT) closed with a fullerene cap, and a similar open nanotube with hydrogen-atom termination, have been simulated using the MNDO (Modified Neglect of Diatomic Overlap)…
In this paper we present a framework for fast quantum conductance calculations of carbon nanotube-based sensing devices targeting aromatic amino acids within a tight binding approximation. The method begins by a novel parameterization…