相关论文: Current rectification by asymmetric molecules: An …
We obtain in a direct and rigorous manner a transition from a stable molecular hydrogen $nH_2$ single chain to the quasiatomic two-chain $2nH$ state. We devise an original method composed of an exact diagonalization in the Fock space…
When time-reversal symmetry is broken, the average conductance through a chaotic cavity, from an entrance lead with $N_1$ open channels to an exit lead with $N_2$ open channels, is given by $N_1N_2/M$, where $M=N_1+N_2$. We show that, when…
We investigate the electronic transport through a molecule in the Kondo regime. The tunneling between the electrode and the molecule is asymmetrically modulated by the oscillations of the molecule, i.e., if the molecule gets closer to one…
We derive an explicit expression for the quantum conductivity of a molecular wire containing a redox center, which is embedded in an electrochemical environment. The redox center interacts with the solvent, and the average over the solvent…
Calculations of the conductance of a carbon nanotube (CNT)-molecule-CNT structure are in agreement with experimental measurements [1]. The features in the transmission correspond directly to the features of the isolated molecular orbitals.…
We compute the spin current rectification coefficient of a non-equilibrium quantum dot subject to a spin bias and an {\it ac} charge bias with small amplitude. As a function of the position of the resonant level the spin current…
This work is devoted to the investigation of nontrivial transport properties in many-body quantum systems. Precisely, we study transport in the steady state of spin-1/2 Heisenberg XXZ chains, driven out of equilibrium by two magnetic baths…
The quantum transport via a donor (D)-bridge (B)-acceptor (A) single molecule is studied using density functional theory in conjunction with the Landauer-B\"{u}ttiker formalism. Asymmetric electrical response for opposite biases is observed…
Correlated quantum systems feature a wide range of nontrivial effects emerging from interactions between their constituting particles. In nonequilibrium scenarios, these manifest in phenomena such as many-body insulating states and…
Study on a rectified current induced by active particles has received a great attention due to its possible application to a microscopic motor in biological environments. Insertion of an {\em asymmetric} passive object amid many active…
We investigate theoretically and experimentally the statistical properties of dc current through an open quantum dot subject to ac excitation of a shape-defining gate. The symmetries of rectification current and photovoltaic current with…
In the context of a single electron two orbital Holstein system coupled to dispersionless bosons, we develop a general method to correct single particle Green's function using a power series correction(PSC) scheme. We then outline the…
We provide analytical results for the perturbative correction to the current-voltage relation through a vibrating molecule for weak electron-phonon coupling. The nonlinear conductance exhibits a step-like feature at $eV=\hbar \omega_0$,…
Non-equilibrium Green's functions (NEGF) formalism combined with extended Huckel (EHT) and charging model are used to study electrical conduction through single-molecule junctions. Analyzed molecular complex is composed of asymmetric…
We investigate the effects of phonon scattering on the electronic current noise through nanojunctions using the non-equilibrium Green's functions formalism extended to include the counting field. In the case of weak electron-phonon coupling…
We examine theoretically coherent electron transport through the single-molecule magnet Mn$_{12}$, bridged between Au(111) electrodes, using the non-equilibrium Green's function method and the density-functional theory. We analyze the…
We show the existence of a resonant behavior of the current of Brownian particles confined in a pulsating channel. The interplay between the periodic oscillations of the shape of the channel and a force applied along its axis leads to an…
The curvature of field emitter tips leads to an altered tunneling potential that assumes significance when the radius of curvature is small. We provide here an analytical curvature-corrected formula for the field emission current from…
Using benzene sandwiched between two Au leads as a model system, we investigate from first principles the change in molecular conductance caused by different atomic structures around the metal-molecule contact. Our motivation is the…
We analyze the effect of a gate on the conductance of molecules by separately evaluating the gate-induced polarization and the potential shift of the molecule relative to the leads. The calculations use ab initio density functional theory…