Related papers: Electron transport in nanoscale junctions with loc…
We apply the recently proposed quasi-classical approach for a second quantized many-electron Hamiltonian in Cartesian coordinates [J. Chem. Phys. 137, 154107 (2012)] to correlated nonequilibrium quantum transport. The approach provides…
When an extended system is coupled at its opposite boundaries to two reservoirs at different temperatures or chemical potentials, it cannot achieve a global thermal equilibrium and is instead driven to a set of current-carrying…
A theoretical model of a single molecule coupled to many vibronic modes is presented. At low energies, transport is dominated by electron-vibron processes where transfer of an electron through the dot is accompanied by the…
A theoretical model of a single molecule coupled to many vibronic modes is presented. At low energies, transport is dominated by electron-vibron processes where transfer of an electron through the dot is accompanied by the…
We investigate the electronic transport behavior of Fano-Anderson (FA) systems, consisting of a one-dimensional finite backbone chain and an attached side-group of varying length. The tight-binding model within the non-equilibrium Green's…
Within the framework of nonequilibrium Green's functions, we investigate the thermoelectric transport in a single molecular junction with electron-phonon and electron-electron interactions. By transforming into a displaced phonon basis, we…
In this paper, we develop a nonequilibrium theory for transient electron transport dynamics in nanostructures based on the Feynman-Vernon influence functional approach. We extend our previous work on the exact master equation describing the…
We develop a numerical model that reproduces the thermal equilibrium and the spin transfer mechanisms in magnetic nanomaterials. We analyze the coherent two-particle spin exchange interaction and the electron-electron collisions. Our study…
We have presented a consistent electronic transport framework for the two-dimensional extended Holstein's organic molecular-crystal based upon complete quantum-mechanical treatment through the non-equilibrium Green's function (NEGF)…
We study the spin exchange between two electrons localized in separate quantum dots in graphene. The electronic states in the conduction band are coupled indirectly by tunneling to a common continuum of delocalized states in the valence…
A model describing spin-polarized current via discrete energy levels of a metallic nanoparticle, which has strongly asymmetric tunnel contacts to two ferromagnetic leads, is presented. In absence of spin-relaxation, the model leads to a…
The interplay of electron-electron and electron-phonon interactions is studied analytically in the Kondo regime. A Holstein electron-phonon coupling is shown to produce a weakening of the gate voltage dependence of the Kondo temperature and…
We apply the hierarchical equations of motion technique to analyzing nonequilibrium heat transport in a spin-boson type model, whereby heat transfer through a central spin is mediated by an intermediate pair of coupled harmonic oscillators.…
We study the nanoscale phase coexistence of ferromagnetic metallic (FMM) and antiferromagnetic insulating (AFI) regions by including the effect of AF superexchange and weak disorder in the double exchange model. We use a new Monte Carlo…
Based on density functional theory (DFT), we have developed algorithms and a program code to investigate the electron transport characteristics for a variety of nanometer scaled devices in the presence of an external bias voltage. We…
We present a unified transport theory of hybrid structures, in which a confined normal state ($N$) sample is sandwiched between two leads each of which can be either a ferromagnet ($F$) or a superconductor ($S$) via tunnel barriers. By…
The anomalous behavior of electron induced phonon transport is investigated using an Anderson-Holstein based dissipative quantum dot setup under two relevant bias situations: (a) a voltage bias in the absence of an electronic temperature…
A dynamical method for inelastic transport simulations in nanostructures is compared with a steady-state method based on non-equilibrium Green's functions. A simplified form of the dynamical method produces, in the steady state in the…
The work presents the extended theoretical model of the electrical conductance in non-magnetic and magnetic nano-size point contacts. The developed approach describes diffusive, quasi-ballistic, ballistic and quantum regimes of the…
We compute transport and thermodynamic properties of a two-band spin-fermion model describing itinerant fermions in two dimensions interacting via $Z_2$ antiferromagnetic quantum critical fluctuations by means of a sign-problem-free quantum…