Related papers: Replacing Leads by Self-Energies Using Nonequilibr…
The analytical treatment of the Greens function in the convergent close-coupling method [Bray et al. Comp. Phys. Comm. 203 147 (2016)] has been extended to charged targets. Furthermore, we show that this approach allows for calculation of…
We study transport through an interacting model system consisting of a central correlated site coupled to finite bandwidth tight-binding leads, which are considered as effectively noninteracting. Its nonequilibrium properties are determined…
The theoretical description of strongly correlated quantum systems out of equilibrium presents several challenges and a number of open questions persist. In this paper we focus on nonlinear electronic transport through an interacting…
We present a real-space method for first-principles nano-scale electronic transport calculations. We use the non-equilibrium Green's function method with density functional theory and implement absorbing boundary conditions (ABCs, also…
We derive an expression for the rate of change of the energy of an interacting many-body system connected to macroscopic leads. We show that the energy variation is the sum of contributions from each different lead. Unlike the charge…
Ab-initio simulations of quantum transport commonly focus on a central region which is considered to be connected to infinite, periodic leads through which the current flows. The electronic structure of these distant leads is normally…
From the early days of many-body physics, it was realized that the self-energy governs the relaxation or lifetime of the retarded Green$'$s function. So it seems reasonable to directly extend those results into the nonequilibrium domain.…
We investigate nonlinear thermal transport properties of a single interacting quantum dot with two energy levels tunnel-coupled to two electrodes using nonequilibrium Green function method and Hartree-Fock decoupling approximation. In the…
Transport properties of 2D materials especially close to their boundary has received much attention after the successful fabrication of graphene and other fascinating materials afterwards. While most previous work is devoted to the…
We investigate electron transport in disordered Hubbard chains contacted to macroscopic leads, via the non-equilibrium Green's functions technique. We observe a cross-over of currents and conductances at finite bias which depends on the…
We present a technique for calculating non-equilibrium Green functions for impurity systems with local interactions. We use an analogy to the calculation of response functions in the x-ray problem.The initial state and the final state…
The dc conductance through a finite Hubbard chain of size N coupled to two noninteracting leads is studied at T = 0 in an electron-hole symmetric case. Assuming that the perturbation expansion in U is valid for small N (=1,2,3,...) owing to…
Stationary electric transport in semiconductor nanostructures is studied by the method of nonequilibrium Green functions. In the case of sequential tunneling the results are compared with density matrix theory, providing almost identical…
We consider several non-standard discrete and continuous Green energy problems in the complex plane and study the asymptotic relations between their solutions. In the discrete setting, we consider two problems; one with variable particle…
We describe a method and its implementation for calculating electronic structure and electron transport without approximating the structure using periodic super-cells. This effectively removes spurious periodic images and interference…
We consider scattering and transport in interacting quantum wires that are connected to leads. Such a setup can be represented by a minimal model of interacting fermions with inhomogeneities in the form of sudden changes in interaction…
In this paper we study the thermopower of a quantum dot connected to two leads in the presence of Kondo correlation by employing a modified second-order perturbation scheme at nonequilibrium. A simple scheme, Ng's ansatz [Phys. Rev. Lett.…
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…
Non-equilibrium Green's function technique has been used to calculate spin-dependent electronic transport through a quantum dot in the Kondo regime. The dot is described by the Anderson Hamiltonian and is coupled either symmetrically or…
We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green functions (NEGF). The energy of…