Related papers: Inelastic current-voltage characteristics of atomi…
We present a numerical model that simulates the current-voltage (I-V) characteristics of materials that exhibit percolation conduction. The model consists of a two dimensional grid of exponentially different resistors in the presence of an…
We study non-linear phenomena in quantum dots. Non linearities are reflected in the I-V characteristic curve as bistabilities, instabilities and time dependent oscillations of the currents. The nature of the non-linear behavior depends upon…
We present a general theoretical formulation, based on nonequilibrium Green's functions, for nonlinear DC transport in multi-probe mesoscopic conductors. The theory is gauge invariant and is useful for the predictions of current-voltage…
The formation and rupture of atomic-sized contacts is modelled by means of molecular dynamics simulations. Such nano-contacts are realized in scanning tunnelling microscope and mechanically controlled break junction experiments. These…
Unlike junctions in solid-state devices, a plasma-metal junction (pm-junction) is a junction of classical and quantum electrons. The plasma electrons are Maxwellain in nature, while metal electrons obey the Fermi-Dirac distribution. In this…
We present a rigorous and computationally efficient method to do a parameter-free analysis of molecular wires connected to contacts. The self-consistent field approach is coupled with Non-equilibrium Green's Function (NEGF) formalism to…
We present series of first-principles calculations for both pure and hydrogen contaminated gold wire systems in order to investigate how such impurities can be detected. We show how a single H atom or a single H2 molecule in an atomic gold…
We present a comprehensive study of the properties of the off-resonant conductance spectrum in oligomer nanojunctions between graphitic electrodes. By employing first-principle-based methods and the Landauer approach of quantum transport,…
We have studied experimentally the phenomena of jump-to-contact (JC) and jump-out-of-contact (JOC) in gold electrodes. JC can be observed at the first contact when the two metals approach each other while JOC occurs in the last contact…
This thesis investigates the mechanically controlled break junctions, with a particular emphasis on elucidating the behaviour of molecular currents at room temperature. The core of this experimental investigation involves a detailed…
We study the electrostatic potential of a molecular wire bridging two metallic electrodes in the limit of weak contacts. With the use of a tight-binding model including a fully three-dimensional treatment of the electrostatics of the…
We have investigated numerically the phase--locking behavior of two-dimensional Josephson junction arrays,taking into account a finite inductance ($l\stackrel{>}{\sim}1$) of the unit cell and external magnetic fields. Within this model we…
Transport through molecular contacts with a sluggish intramolecular vibrational mode strongly coupled to excess charges is studied far from equilibrium. A Born-Oppenheimer approximation in steady state reveals voltage dependent energy…
The point-contact spectroscopy, in contrast to the tunneling spectrocopy, considers small electrical contacts with direct conductivity. In the normal state, it enables one to measure the spectral function of electron-boson interaction. In…
We study theoretically a junction consisting of a normal metal, PT-symmetric non-Hermitian superconductor, and an insulating thin layer between them (N-I-PTS junction). We calculate current-voltage characteristics for this junction using…
Molecule-electrode interfaces in molecular electronic junctions are prone to chemical reactions, structural changes, and localized heating effects caused by electric current. These can be exploited for device functionality or may be…
We calculate the I-V characteristics of a tunnel junction containing impurities in the barrier. We consider the indirect resonant tunneling involving the impurities. The Coulomb repulsion energy $E_c$ between two electrons with opposite…
A comprehensive review is presented of single molecule junction conductance measurements across families of molecules measured while breaking a gold point contact in a solution of molecules with amine end groups. A theoretical framework…
Covalent molecules are characterized by directed bonds, which provide stability-of-form to the molecules relative atomic positions. In contrast, bulk metals are characterized by delocalized bonds, where a large number of resonance…
The stability of molecular junctions under transport is of the utmost importance for the field of molecular electronics. This question is often addressed within the paradigm of current-induced heating of nuclear degrees of freedom or…