Related papers: On the electrostatic potential profile in biased m…
We explore theoretically the principles that govern photon emission from single-molecule conductors carrying electric currents between metallic contacts. The molecule and contacts are represented by a generic tight-binding model. The…
We theoretically study the transport properties of a supramolecular spin valve, consisting of a carbon nanotube with two attached magnetic molecules, weakly coupled to metallic contacts. The emphasis is put on analyzing the change of the…
We analyse the zero temperature Full Counting Statistics (FCS) for the charge transfer across a biased tunnel junction. We find the FCS from the eigenvalues of the density matrix of outgoing states of one lead. In the general case of a…
The tunneling probability between two leads connected by a molecule, a chain, a film, or a bulk polarizable insulator is investigated within a model of an electron tunneling from lead A to a state higher in energy, describing the barrier,…
Based on the Bogoliubov-de Gennes equations, we provide an exact numerical solution for the critical current of Josephson junctions with a composite ferromagnetic bilayer. We demonstrate that for the antiparallel orientation of the magnetic…
The path probability of a particle undergoing stochastic motion is studied by the use of functional technique, and the general formula is derived for the path probability distribution functional. The probability of finding paths inside a…
Motivated by first-principles results for jellium and by surface-barrier shapes that are typically used in electron spectroscopies, the bias voltage in ballistic vacuum tunneling is treated in a heuristic manner. The presented approach…
Electron transport characteristics through molecular wires are studied by using the Green's function formalism. Parametric calculations are performed based on the tight-binding model to investigate the transport properties through the…
Ultrafast laser micromachining can be used to promote diamond graphitisation, enabling the creation of electrically conductive wires embedded in the diamond matrix. In this context, the presence of a potential barrier in the conductivity of…
Combining the features of molecular wires and femtosecond laser pulses gives the unique opportunity to optically switch electron currents in molecular devices with very high speed. Based on a weak-coupling approximation between wire and…
We study the fractionalization of an electron tunneling into a strongly interacting electronic one-dimensional ring. As a complement to transport measurements in quantum wires connected to leads, we propose non-invasive measures involving…
For the first time we calculate the electron transmission phase through a quantum point contact (QPC). The QPC is considered in the saddle point approximation in the single-electron picture. We show that when the electron energy is close to…
Molecules of bisthiolterthiophene have been adsorbed on the two facing gold electrodes of a mechanically controllable break junction in order to form metal-molecule(s)-metal junctions. Current-voltage (I-V) characteristics have been…
The conductance through a quantum point contact created by a sharp and hard metal tip on the graphite surface has features which to our knowledge have not been encountered so far in metal contacts or in nanowires. In this paper we first…
Although machine-learning potentials have recently had substantial impact on molecular simulations, the construction of a robust training set can still become a limiting factor, especially due to the requirement of a reference ab initio…
We study by computer simulation the nucleation of a supersaturated Lennard-Jones vapor into the liquid phase. The large free energy barriers to transition make the time scale of this process impossible to study by ordinary molecular…
A semi-empirical formalism is presented for deriving interatomic potentials for materials such as caesium or cerium which exhibit volume collapse phase transitions. It is based on the Finnis-Sinclair second moment tight binding approach,…
In this paper we study a particle under the influence of a Lennard-Jones potential moving in a simple quantum wire modelled by the positive half-line. Despite its physical significance, this potential is only rarely studied in the…
The average current of an overdamped Brownian particle moving along the axis of a three-dimensional periodic tube is investigated in the presence of a symmetric potential and a temporally symmetric unbiased external force. Reduction of the…
We investigate electron transport through a mono-atomic wire which is tunnel coupled to two electrodes and also to the underlying substrate. The setup is modeled by a tight-binding Hamiltonian and can be realized with a scanning tunnel…