Related papers: Ill-Contact Effects of d-Orbital Channels in Nanom…
We characterize the dynamics of an electrolyte embedded in a varying-section channel under the action of a constant external electrostatic field. By means of molecular dynamics simulations we determine the stationary density, charge and…
Pt nanocontacts, like those formed in mechanically controlled break junctions, are shown to develop spontaneous local magnetic order. Our density functional calculations predict that a robust local magnetic order exists in the atoms…
We study the transport of charge carriers through finite graphene structures. The use of numerical exact kernel polynomial and Green function techniques allows us to treat actual sized samples beyond the Dirac-cone approximation.…
The transition from the ballistic electron transport to the diffuse one is experimentally observed in the study of the magnetic phase transition in Ni nanocontacts with different sizes. It is shown that the voltage $U_C$ needed for Joule…
Metal microbridges with a high impurity content and shorter than the energy relaxation length are considered. Their conductance is calculated with allowance made for the Coulomb electron-electron interaction. It is shown that nonequilibrium…
The generation, manipulation and detection of spin-polarized electrons in nanostructures define the main challenges of spin-based electronics[1]. Amongst the different approaches for spin generation and manipulation, spin-orbit coupling,…
We obtain the conductance of a system of electrons connected to leads, within time-dependent density-functional theory, using a direct relation between the conductance and the density response function. Corrections to the non-interacting…
We show that conductance of 1D channel with one point-like impurity critically depends on asymptotic behavior of e-e interaction at small momenta k (about inverse length of a channel). Conductance reemerges (contrary to the case of…
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is…
When the electron density of highly crystalline thin films is tuned by chemical doping or ionic liq- uid gating, interesting effects appear including unconventional superconductivity, sizeable spin-orbit coupling, competition with…
We explore multiband effects on d-wave superconducting instabilities driven by electron-electron interactions. Our models on the two-dimensional square lattice consist of a main band with an extended Fermi surface and predominant weight…
We evaluate the electron-electron interaction corrections to the electronic thermal conductivity in a disordered conductor in the diffusive regime. We use a diagrammatic many-body method analogous to that of Altshuler and Aronov for the…
I construct a minimal formalism to describe transport of non separable correlations arising when a superconductor is in contact with several electrodes (being ferromagnetic or normal metal). Transport theory is expressed in terms of…
We consider the effects of Coulomb interactions on single-wall carbon nanotubes using an on-site Hubbard interaction, u. For the (N,N) armchair tubes the low energy theory is shown to be identical to a 2-chain Hubbard model at half-filling,…
We present a comprehensive study of the properties of the off-resonant conductance spectrum in oligomer nanojunctions between graphitic electrodes. By employing first-principle-based methods and the Landauer approach of quantum transport,…
We derive the transport equations for two-dimensional electron systems with spin-orbit interaction and short-range spin-independent disorder. In the limit of slow spatial variations of the electron distribution we obtain coupled diffusion…
We study by simulation and theory how the addition of insulating spherical particles affects the conductivity of fluids of conducting rods, modeled by spherocylinders. The electrical connections are implemented as tunneling processes,…
We develop a formalism for the evaluation of conduction eigenchannels of atomic-sized contacts from first-principles. The multiple scattering Korringa-Kohn-Rostoker (KKR) Green's function method is combined with the Kubo linear response…
Ionic Current Rectification (ICR) can appear in nanopores, causing a diode-like behavior that originates from different efficiency of ion transport through the pore channel with respect to the applied voltage bias polarity. This effect is…
Excitonic contributions to absorption and photocurrent generation in semiconductor nanostructures are described theoretically and simulated numerically using steady-state non-equilibrium Green's function theory. In a first approach, the…