Related papers: DFT-based calculation of Coulomb blockade in molec…
We present consistent results for molecular conduction using two central-complementary approaches: the non-equilibrium Green's function technique and the quantum master equation method. Our model describes electronic conduction in a…
We investigated the peculiarities of non-equilibrium charge configurations in the system of two strongly coupled quantum dots (QDs) weakly connected to the reservoirs in the presence of Coulomb correlations. We revealed that total electron…
We consider the transport spectroscopy of a quantum dot with an even number of electrons at finite bias voltage within the Coulomb blockade diamond. We calculate the tunneling current due to the elastic and inelastic co-tunneling processes…
The theoretical investigation of charge (and spin) transport at nanometer length scales requires the use of advanced and powerful techniques able to deal with the dynamical properties of the relevant physical systems, to explicitly include…
We present an ab initio approach to electronic transport in nanoscale systems which includes electronic correlations through the GW approximation. With respect to Landauer approaches based on density-functional theory (DFT), we introduce a…
We propose and compare different strategies to construct dynamic density functional theories (DDFTs) for inhomogeneous polymer systems close to equilibrium from microscopic simulation trajectories. We focus on the systematic construction of…
We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions. We consider a model single-molecule nanojunction in the presence of two kinds of electron-vibron interactions.…
In this work, we investigate the characteristics of the electric current in the so-called symmetric Anderson impurity model. We study the nonequilibrium model using two complementary approximate methods, the perturbative quantum master…
It is theoretically demonstrated that the figure of merit ($ZT$) of quantum dot (QD) junctions can be significantly enhanced when the degree of degeneracy of the energy levels involved in electron transport is increased. The theory is based…
In this work we discuss the combined effects of finite-range electron-electron interaction and finite-range tunneling on the transport properties of ultrasmall tunnel junctions. We show that the Coulomb blockade phenomenon is deeply…
Ab initio modeling of molecular electronics is nowadays routinely performed by combining the Density Functional Theory (DFT) and Nonequilibrium Green function (NEGF) techniques. This method has its roots in the current formula given by Meir…
We present a brief pedagogical review of theoretical Green's function methods applicable to open quantum systems out of equilibrium in general, and single molecule junctions in particular. We briefly describe experimental advances in…
We point out that single electron charging effects such as Coulomb Blockade (CB) and high-bias staircases play a crucial role in transport through single ultrashort molecules. A treatment of Coulomb Blockade through a prototypical molecule,…
We present a comprehensive set of numerically exact results for the Anderson model of a quantum dot coupled to two electrodes in non-equilibrium regime. We use a high order perturbative expansion in power of the interaction $U$, coupled to…
We present measurements on spin blockade in a laterally integrated quantum dot. The dot is tuned into the regime of strong Coulomb blockade, confining ~ 50 electrons. At certain electronic states we find an additional mechanism suppressing…
We study transport through a strongly correlated quantum dot and show that Coulomb blockade can appear even in the presence of perfect contacts. This conclusion arises from numerical calculations of the conductance for a microscopic model…
We study theoretically a quantum dot in the quantum Hall regime that is strongly coupled to a single lead via a point contact. We find that even when the transmission through the point contact is perfect, important features of the Coulomb…
The charging of a quantum box connected to a lead by a single-mode point contact is solved for arbitrary temperatures, tunneling amplitudes, and gate voltages, using a variant of Wilson's numerical renormalization group. The charge inside…
We develop a theory for the nonequilibrium coherent transport through a mesoscopic region, based on the nonequilibrium Green function technique. The theory requires the weak coupling between the central mesoscopic region and the multiple…
Motivated by recent experimental refinements of stellar reaction rates, we establish a non-perturbative Green's function formalism based on the exact solution of the Dyson equation for sub-barrier proton-nucleus resonant scattering. By…