Related papers: Current rectification in molecular junctions produ…
The electron transport properties of ZnO nano-wires coupled by two aluminium electrodes were studied by {\it ab initio} method based on non-equilibrium Green's function approach and density functional theory. A clearly rectifying…
Theory of electronic transport through a triangular triple quantum dot subject to a perpendicular magnetic field is developed using a tight binding model. We show that magnetic field allows to engineer degeneracies in the triple quantum dot…
We report first principles analysis of electron-phonon coupling in molecular devices under external bias voltage and during current flow. Our theory and computational framework are based carrying out density functional theory within the…
We study subgap transport from a superconductor through a double quantum dot with large on-site Coulomb repulsion to two normal leads. Non-local superconducting correlations in the double dot are induced by the proximity to the…
We study the appearance of directed current in tunnel junctions, quantum ratchet effect, in the presence of an external ac field f(t). The current is established in a one-dimensional discrete inhomogeneous "tight-binding model". By making…
We measure the low bias conductance of a series of substituted benzene diamine molecules while breaking a gold point contact in a solution of the molecules. Transport through these substituted benzenes is by means of nonresonant tunneling…
The concept of single molecule rectifiers proposed in a theoretical work by Aviram and Ratner in 1974 was the starting point of the now vibrant field of molecular electronics. In the meantime, a built-in asymmetry in the conductance of…
Most theoretical studies of nanoscale transport in molecular junctions rely on the combination of the Landauer formalism with Kohn-Sham density functional theory (DFT) using standard local and semilocal functionals to approximate exchange…
We study theoretically the electron transport in a 1D conductor adiabatically connected to a superconducting and normal metal leads. In the case of non-interacting we show that ac voltage applied along with dc voltage modifies I-V curve…
Recently, rectifying direction inversion has been observed in dipyrimidinyl-diphenyl (PMPH) diblock molecular wire [J. Am. Chem. Soc. (2005) 127, 10456], and a protonation mechanism was suggested to explain this interesting phenomena. In…
The combined action of a DC bias and a microwave drive on the transport characteristic of a superconductor-quantum dot-superconductor junction is investigated. To cope with time dependent non-equilibrium effects and interactions in the…
We theoretically study the electronic transport in the monolayer of dithiolated phenylene vinylene oligomeres coupled to the (111) surfaces of gold electrodes. We use non-equilibrium Green functions (NEGF) and density functional theory(DFT)…
The proximity effect, quasiparticle transport, and local magnetic moment in ferromagnet--d-wave superconductor junctions with {110}-oriented interface are studied by solving self-consistently the Bogoliubov-de Gennes equations within an…
We investigate electronic transport through two types of conjugated molecules. Mechanically controlled break-junctions are used to couple thiol endgroups of single molecules to two gold electrodes. Current-voltage characteristics (IVs) of…
We investigate charge transport in C$_{60}$-based single-molecule junctions with graphene electrodes employing a combination of density functional theory (DFT) electronic structure calculations and Landauer transport theory. In particular,…
We study transport through one or two ultrasmall quantum dots with discrete energy levels to which a time-dependent field is applied (e.g., microwaves). The AC field causes photon-assisted tunneling and also transitions between discrete…
We study the differential conductance in the Kondo regime of a quantum dot coupled to multiple leads. When the bias is applied symmetrically on two of the leads ($V$ and $-V$, as usual in experiments), while the others are grounded, the…
Using non-equilibrium renormalized perturbation theory, we calculate the retarded and lesser self energies, the spectral density rho(omega) near the Fermi energy, and the conductance G through a quantum dot as a function of a small bias…
We use a novel technique to experimentally explore transport properties through a single metallic nanoparticle with variable coupling to electric leads. For strong dot-lead coupling the conductance is an oscillatory function of the gate…
Electron transport in periodic quantum dot arrays in the presence of interactions with phonons was investigated using the formalism of nonequilibrium Green's functions. The self-consistent Born approximation was used to model the…