相关论文: A wave function based ab initio non-equilibrium Gr…

This review deals with the nonequilibrium Green's function (NEGF) method applied to the problems of energy transport due to atomic vibrations (phonons), primarily for small junction systems. We present a pedagogical introduction to the…

The Non-Equilibrium Green's Function (NEGF) method combined with ab initio calculations has been widely used to study charge transport in molecular junctions. However, the significant computational demands of high-resolution calculations…

We study the matter and entropy transport between two ultra-cold neutral Fermi-gas reservoirs linked by a quantum point contact under a chemical-potential gradient. We describe the two leads with a BCS mean-field model and derive the…

We study the electronic current through a quantum dot coupled to two superconducting leads which is driven by either a voltage $V$ or temperature $\Delta T$ bias. Finite biases beyond the linear response regime are considered. The local…

We study backaction effects of phonon heating due to tunneling electrons on the current noise in atomic-sized junctions. Deriving a generalized kinetic approximation within the extended Keldysh Green's functions technique, we demonstrate…

Electron transport properties of a biphenyl molecule are studied based on the Green's function formalism. The molecule is sandwiched between two metallic electrodes, where each benzene ring is threaded by a magnetic flux $\phi$. The results…

Surface sensitive electric current measurements are important experimental tools poorly corroborated by theoretical models. We show that the drift-diffusion equations offer a framework for a consistent description of such experiments. The…

We numerically study the non-local transport signature in Weyl semimetal as a test for interconnectedness of the surface states, using a recursive Green's function method. We drive a current using two leads connected on the same surface…

We consider a current-carrying, phase-coherent multi-probe conductor to which a small tunneling contact is attached. We treat the conductor and the tunneling contact as a phase-coherent entity and use a Green's function formulation of the…

We propose a model for a molecular junction with internal anharmonic torsional vibrations interacting with an electric current. The Wangsness-Bloch-Redfield master equation approach is used to determine the stationary reduced density matrix…

Based on the matrix Green's function method combined with hybrid tight-binding / density functional theory, we calculate the conductances of a series of gold-dithiol molecule-gold junctions including benzenedithiol (BDT),…

We study the dynamics of the electron current in nanodevices where there are time-varying components and interactions. These devices are a nanojunction attached to heat baths and with dynamical electron-phonon interactions and a…

We develop a theoretical framework to determine distribution functions in nonequilibrium systems coupled to equilibrium reservoirs, by using the nonequilibrium Green's function technique. As a paradigmatic example, we consider the…

A model is developed describing the energy distribution of quasi-particles in a quasi-one dimensional, normal metal wire, where the transport is diffusive, connected between equilibrium reservoirs. When an ac bias is applied to the wire by…

We derive a general expression for the electron nonequilibrium (NE) distribution function in the context of steady state quantum transport through a two-terminal nanodevice with interaction. The central idea for the use of NE distributions…

In this paper, spin-dependent transport through a spin diode composed of a quantum dot coupled to a normal metal and a ferromagnetic lead is studied. The current polarization and the spin accumulation are analyzed using the equations of…

We study non-equilibrium electron transport through a quantum dot coupled to metallic leads. We use an alternative equation of motion approach in which we calculate the retarded Green function of the impurity by differentiating Green…

In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiates from conventional methods in that the contact self-energy…

We present a microscopic theory of single-electron tunneling through metallic nanoparticles connected to the electrodes through molecular bridges. It combines the theory of electron transport through molecular junctions with the description…

In the present work, we theoretically analyze the steady-state thermoelectric transport through a single-molecule junction with a vibrating bridge. Thermally induced charge current in the system is explored using a nonequilibrium Green's…