Related papers: Current rectification in molecular junctions produ…
We investigate theoretically nonequilibrium quantum transport in a quantum dot attached to a Majorana bound state. Our approach is based on the Keldysh Green's function formalism, which allows us to investigate the electric current…
We consider a model of a molecular junction made of BDT (benzene dithiol) molecule trapped between two Au(100) leads. Using the ab initio approach implemented in the SIESTA package we look for the optimal configuration of the molecule as a…
Rectification of ac displacement currents generated by periodic variation of two independent gate voltages of a quantum dot can lead to a dc voltage linear in the frequency. The presence of this rectified displacement current could account…
We investigate transport properties of molecular junctions under two types of bias--a short time pulse or an AC bias--by combining a solution for the Green functions in the time domain with electronic structure information coming from ab…
Whether at phenomenological or microscopic levels, most theoretical approaches to charge transport through molecular junctions postulate or attempt to justify microscopically the existence of a dominant molecular orbital (MO). Within such…
We consider a quantum dot, affected by a local vibrational mode and contacted to macroscopic leads, in the non-equilibrium steady-state regime. We apply a variational Lang-Firsov transformation and solve the equations of motion of the Green…
We consider transport through a vibrating molecular quantum dot contacted to macroscopic leads acting as charge reservoirs. In the equilibrium and nonequilibrium regime, we study the formation of a polaron-like transient state at the…
We present a time-dependent study of electron transport through a strongly correlated quantum dot. The time-dependent current is obtained with the multiple-probe battery method, while adiabatic lattice density functional theory in the Bethe…
We report on dynamical quantum transport simulations for realistic molecular devices based on an approximate formulation of time-dependent Density Functional Theory with open boundary conditions. The method allows for the computation of…
A self-consistent method for calculating electron transport through a molecular device is proposed. It is based on density functional theory electronic structure calculations under periodic boundary conditions and implemented in the…
We investigate the proximity effect in junctions between $N=3$ superconductors under commensurate voltage bias. The bias is chosen to highlight the role of transport processes that exchange multiple Cooper pairs coherently between more than…
In this work we theoretically consider the OPE-3 molecule bridging two metallic leads and show that because of the electron-phonon interaction and the transition of cation to triplet states, we can have a light induced negative differential…
The electron transport in a 1D conductor with an isolated local defect such as an impurity or a non-adiabatic contact is studied theoretically. New regime of conduction in correlated 1D systems is predicted beyond the well-known regime of…
We study charge transport in voltage-biased single-channel junctions involving helical superconductors with finite Cooper pair momentum. For a Josephson junction, the equilibrium current-phase relation shows a superconducting diode effect:…
We report a study of spin dependent transport in a system composed of a quantum dot coupled to a normal metal lead and a ferromagnetic lead (NM-QD-FM). We use the master equation approach to calculate the spin-resolved currents in the…
It was observed in recent experiments that the current-voltage characteristics (IV) of BPDN-DT (bipyridyl- dinitro- oligophenylene- ethynylene- dithiol) can be switched in a very controlled manner between "on" and "off" traces by applying a…
We introduce an orbital free electron density functional approximation based on alchemical perturbation theory. Given convergent perturbations of a suitable reference system, the accuracy of popular self-consistent Kohn-Sham density…
We propose a random matrix theory to describe the influence of a time-dependent external field on electron transport through open quantum dots. We describe the generation of the current by an oscillating field for the dot, connected to two…
We present a novel ab initio non-equilibrium approach to calculate the current across a molecular junction. The method rests on a wave function based description of the central region of the junction combined with a tight binding…
We investigate the nonlinear current-voltage characteristic of mesoscopic conductors and the current generated through rectification of an alternating external bias. To leading order in applied voltages both the nonlinear and the rectified…