Related papers: A gauge-invariant and current-continuous microscop…
We study quantum transport properties of two-dimensional electron gases under high perpendicular magnetic fields. For this purpose, we reformulate the high-field expansion, usually done in the operatorial language of the guiding-center…
The frequency dependent conductance of a two-dimensional quantum wire is computed using a current conserving formalism. The correction to the dc-conductance due to a time-dependent potential is related to the local partial density of states…
Gauge invariance is one of the more important concepts in physics. We discuss this concept in connection with the unitary evolution of discrete-time quantum walks in one and two spatial dimensions, when they include the interaction with…
We review one of the most versatile theoretical approaches to the study of time-dependent correlated quantum transport in nano-systems: the non-equilibrium Green's function (NEGF) formalism. Within this formalism, one can treat, on the same…
A self-consistent method for calculating electron transport through a molecular device is proposed. It is based on density functional theory electronic structure calculations under periodic boundary conditions and implemented in the…
We report on dynamical quantum transport simulations for realistic molecular devices based on an approximate formulation of time-dependent Density Functional Theory with open boundary conditions. The method allows for the computation of…
Based on the non-equilibrium Green's function (NEGF) coupled with density function theory (DFT), namely, NEGF-DFT quantum transport theory, we propose an efficient formalism to calculate the transient current of molecular devices under a…
An ab initio quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results…
The main goal of this paper is to put on solid mathematical grounds the so-called Non-Equilibrium Green's Function (NEGF) transport formalism for open systems. In particular, we derive the Jauho-Meir-Wingreen formula for the time-dependent…
The time-dependent transport through a nano-scale device, consisting of a single spin-degenerate orbital with on-site Coulomb interaction, coupled to two leads, is investigated. Various gate and bias voltage time-dependences are considered.…
We investigate gauge invariance against phase space shifting in nonequilibrium systems, as represented by time-dependent many-body Hamiltonians that drive an initial ensemble out of thermal equilibrium. The theory gives rise to gauge…
In molecular dynamics, transport coefficients measure the sensitivity of the invariant probability measure of the stochastic dynamics at hand with respect to some perturbation. They are typically computed using either the linear response of…
Based on the nonequilibrium Green's function technique, a unified theory is developed that covers quantum transport and quantum diffusion in bulk semiconductors on the same footing. This approach, which is applicable to transport via…
We investigate multi-terminal quantum transport through single monocyclic aromatic annulene molecules, and their derivatives, using the nonequilibrium Green function approach in the self-consistent Hartree-Fock approximation. A new device…
Graphene has proven to host outstanding mesoscopic effects involving massless Dirac quasiparticles travelling ballistically resulting in the current flow exhibiting light-like behaviour. A new branch of 2D electronics inspired by the…
We derive the relativistic quantum kinetic equation for massless fermions with vector and axial vector interaction using the Wigner function formalism. The vector and axial vector currents are self-consistently treated with corresponding…
Persistent currents circulate continuously without requiring external power sources. Here, we extend their theory to include dissipation within the framework of non-Hermitian quantum Hamiltonians. Using Green's function formalism, we…
According to the Green-Kubo theory of linear response, the conductivity of an electronically gapped liquid can be expressed in terms of the time correlations of the adiabatic charge flux, which is determined by the atomic velocities and…
We review the first experiment on dynamic transport in a phase-coherent quantum conductor. In our discussion, we highlight the use of time-dependent transport as a means of gaining insight into charge relaxation on a mesoscopic scale. For…
Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state…