Related papers: First-principles study on electron field emission …
We prove the existence of the exact density-functional theory formalism for open electronic systems, and develop subsequently an exact time-dependent density-functional theory (TDDFT) formulation for the dynamic response. The TDDFT…
Vacuum nanodevices are devices that the electron transport through them is based on electron field emission from a nano-eimtter to another opposite electrode through a vacuum channel. Geometrically asymmetric metal-vacuum-metal structures…
Modeling nanoscale devices quantum mechanically is a computationally challenging problem where new methods to solve the underlying equations are in a dire need. In this paper, we present an approach to calculate the charge density in…
The effective mass approximation (EMA) could be an efficient method for the computational study of semiconductor nanostructures with sizes too large to be handled by first-principles calculations, but the scheme to accurately and reliably…
Field emission formulae, current-voltage characteristics and energy distribution of emitted electrons, are derived analytically for a nonplanar (hyperboloidal) metallic emitter model. The traditional Fowler-Nordheim formulae, which are…
Electromechanics in fluids describes the response of the number density to electric fields, and thus provides a powerful means by which to control the behavior of liquids. While continuum approaches have proven successful in describing…
We develop a practical first-principles methodology to determine nonradiative carrier capture coefficients at defects in semiconductors. We consider transitions that occur via multiphonon emission. Parameters in the theory, including…
We present a method to analyze the results of first-principles based calculations of electronic currents including inelastic electron-phonon effects. This method allows us to determine the electronic and vibrational symmeties in play, and…
We observe field emission from an isolated nano-machined gold island. The island is able to mechanically oscillate between two facing electrodes, which provide recharging and detection of the emission current. We are able to trace and…
This paper presents an elementary, approximate analytical treatment of cold field electron emission (CFE) from a classical nanowall. A simple model is used to bring out some of the basic physics of a class of field emitter where quantum…
We demonstrate an efficient nonequilibrium Green's function transport calculation procedure based on the real-space finite-difference method. The direct inversion of matrices for obtaining the self-energy terms of electrodes is…
First principles electronic structure calculations, based upon density functional theory within the generalized gradient approximation and ultra-soft Vanderbilt pseudopotentials, have been used to simulate a liquid alloy of iron and sulfur…
Optically active spin defects in solids are promising platforms for quantum technologies. Here, we present a first-principles framework to investigate intersystem crossing processes, which represent crucial steps in the optical…
Nanocomposites based on graphene and carbon nanotubes dispersed in polypyrrole or poly(3,4ethylenedioxy)thiophene have been prepared and their performance as cold cathodes for field emission has been evaluated. It was found that the polymer…
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…
Transport in molecular electronic devices is different from that in semiconductor mesoscopic devices in two important aspects: (1) the effect of the electronic structure and (2) the effect of the interface to the external contact. A…
An accurate estimation of the experimental field-emission area remains a great challenge in vacuum electronics. The lack of convenient means, which can be used to measure this parameter, creates a critical knowledge gap, making it…
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…
The paper discusses the nano-diode and nano-triode structures of vacuum electronics. Such structures may have the dielectric film with the thickness of several nanometers wich is located on the cathode. Such film with a large dielectric…
We present a comprehensive first-principles study of the ballistic transport properties of low dimensional nanostructures such as linear chains of atoms (Al, C) and carbon nanotubes in presence of defects. A novel approach is introduced…