Related papers: Atomistic deconstruction of current flow in graphe…
We develop a consistent method for calculating non-equilibrium Green's functions for a nano-sized dot coupled to electron reservoirs by tunneling. The leads are generally at different chemical potentials (non-equilibrium), and the dot may…
In the framework of the quantum theory of many-particle systems, we study the compatibility of approximated Non-Equilibrium Green Functions (NEGFs) and of approximated solutions of the Dyson equation with a modified continuity equation of…
We present quantum electron transport theory that incorporates dynamical effects of motion of atoms on electrode-molecule interfaces in the calculations of the electric current. The theory is based on non-equilibrium Green's functions. We…
Non-equilibrium Greens function techniques (NEGF) combined with Density Functional Theory (DFT) calculations have become a standard tool for the description of electron transport through single molecule nano-junctions in the coherent…
The electrical conductivity of graphene with a nonzero mass-gap parameter is investigated starting from the first principles of quantum electrodynamics in (2+1)-dimensional space-time at any temperature. The formalism of the polarization…
We use the effective-mass approximation and the density-functional theory with the local-density approximation for modeling two-dimensional nano-structures connected phase-coherently to two infinite leads. Using the non-equilibrium Green's…
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…
A far-reaching goal of graphene research is exploiting the unique properties of carriers to realize extreme nonclassical electronic transport. Of particular interest is harnessing wavelike carriers to guide and direct them on submicron…
Due to their unique electrical properties, graphene nanoribbons (GNRs) show great promise as the building blocks of novel electronic devices. However, these properties are strongly dependent on the geometry of the edges of the graphene…
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 construct a nonperturbative nonequilibrium theory for graphene electrons interacting via the instantaneous Coulomb interaction by combining the functional renormalization group method with the nonequilibrium Keldysh formalism. The…
With the technical progress of radio-frequency setups, high frequency quantum transport experiments have moved from theory to the lab. So far the standard theoretical approach used to treat such problems numerically--known as Keldysh or…
The scattering cross section of the resonant inelastic light scattering is represented as a correlation function in the Keldysh-Schwinger functional integral formalism. The functional integral approach enables us to compute the cross…
This work focuses on the numerical computation of defocusing action ground states for rotating nonlinear Schr\"odinger equations (RNLS) using a direct gradient flow (DGF) method. We address theoretical gaps in the existing literature…
Building on the many existing algorithms for calculating the DC transport properties of quantum tight-binding models, we develop a systematic approach that expresses finite frequency observables in terms of the stationary Green's function…
Ohm's law describes the proportionality of current density and electric field. In solid-state conductors, Ohm's law emerges due to electron scattering processes that relax the electrical current. Here, we use nitrogen-vacancy center…
In this paper we present a comprehensive model for the tunneling current of the metal-insulator-graphene heterostructure, based on the Bardeen Transfer Hamiltonian method, of the metal-insulator-graphene heterostructure. As a particular…
We derive an improved version of the recursive Green's function formalism (RGF), which is a standard tool in the quantum transport theory. We consider the case of disordered quasi one-dimensional materials where the disorder is applied in…
The theory of Nonequilibrium Green functions (NEGF) has seen a rapid development over the recent three decades. Applications include diverse correlated many-body systems in and out of equilibrium. Very good agreement with experiments and…
We demonstrate the possibility of a turbulent flow of electrons in graphene in the hydrodynamic region, by calculating the corresponding turbulent probability density function. This is used to calculate the contribution of the turbulent…