Related papers: First Principles Calculation of Field Emission fro…
We demonstrate charge pumping in semiconducting carbon nanotubes by a traveling potential wave. From the observation of pumping in the nanotube insulating state we deduce that transport occurs by packets of charge being carried along by the…
Amorphous carbon nanotubes (a-CNT) with up to four walls and sizes ranging from 200 to 3200 atoms have been simulated, starting from initial random configurations and using the Gaussian Approximation Potential [Phys. Rev. B 95, 094203…
Dielectric properties of carbon nanotubes (CNT) are calculated with taking into account the deviation of carbon valence electrons from to be placed exactly on the CNT surface. The results show difference to the usually applied 2D electron…
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…
We develop an analytical theory of polarization of a vertically aligned array of carbon nanotubes (NTs) in external electric field. Such arrays are commonly utilized in field-emission devices, due to the known electrostatic effect of strong…
Field-emission of electrons underlies major advances in science and technology, ranging from imaging the atomic-scale structure of matter to signal processing at ever-higher frequencies. The advancement of these applications to their…
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated…
Theoretical description of the field emission of electrons from nanoscale objects weakly coupled to the cathode is presented. It is shown that the field- emission current increases in a step-like fashion due to single-electron charging…
The heat flux autocorrelation functions of carbon nanotubes (CNTs) with different radius and lengths is calculated using equilibrium molecular dynamics. The thermal conductance of CNTs is also calculated using the Green-Kubo relation from…
The calculation results of dependencies of electric current in the infinitely long single-wall metallic carbon nanotubes of armchair type with different diameter values on the strength of constant and uniform longitudinal electric field…
The dependence of the energy of interwall interaction in double-walled carbon nanotubes (DWNT) on the relative position of walls has been calculated using the density functional method. This dependence is used to evaluate forces that are…
A nanoscopic simulation for an acceleration sensor is aimed based on the piezoresistive effect of carbon nanotubes (CNTs). Therefore, a compact model is built from density functional theory (DFT), compared with results of molecular dynamics…
We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…
We demonstrate theoretically that an off-resonant circularly polarized electromagnetic field can induce a persistent current in carbon nanotubes, which corresponds to electron rotation about the nanotube axis. As a consequence, the…
We report the direct observation of the spin-singlet dark excitonic state in individual single-walled carbon nanotubes through low-temperature micro-photoluminescence spectroscopy in magnetic fields. A magnetic field up to 5 T, applied…
We demonstrate that a non-perturbative framework for the treatment of the excitations of single walled carbon nanotubes based upon a field theoretic reduction is able to accurately describe experiment observations of the absolute values of…
The current associated with field emission is greatly dependent on the electric field at the emitting electrode. This field is a combination of the electric field in vacuum and the space charge created by the current. The latter becomes…
We report on theoretical analysis of large amplitude current dynamics due to Bragg reflections in carbon nanotubes exposed to an external electric field. Using the kinetic equation with constant relaxation time, an analytical expression for…
We present a theory of frequency-dependent counting statistics of electron transport through nanostructures within the framework of Markovian quantum master equations. Our method allows the calculation of finite-frequency current cumulants…
The electronic structure and size-scaling of optoelectronic properties in cycloparaphenylene carbon nanorings are investigated using time-dependent density functional theory (TDDFT). The TDDFT calculations on these molecular nanostructures…