Related papers: Nonequilibrium Green's Function Formalism Applicab…
In this contribution, we discuss the finite-element discrete variable representation (FE-DVR) of the nonequilibrium Green's function and its implications on the description of strongly inhomogeneous quantum systems. In detail, we show that…
Numerical calculations based on the recursive Green's functions method in the tight-binding approximation are performed to calculate the dimensionless conductance $g$ in disordered graphene nanoribbons with Gaussian scatterers. The…
Scattering by a single impurity introduced in a strongly correlated electronic system is studied by exact diagonalization of small clusters. It is shown that an inert site which is spinless and unable to accomodate holes can give rise to…
Two-terminal spintronic devices remain challenging to model under realistic operating conditions, where the interplay of complex electronic structures, correlation effects and bias-driven non-equilibrium dynamics may significantly impact…
Topology without quasiparticles has emerged as a key framework for understanding Mott insulators, where Green's-function zeros encode nontrivial topological structure. Yet, experimental detection of these zeros represents a challenge. Using…
In this work we fit $neutron$ - $^{12}C$ elastic scattering angular distributions in the energy range 12 to 20 MeV, by adding a velocity dependent term to the optical potential. This term introduces a wave function gradient, whose…
We examine theoretically and experimentally the localized %and extended electrical modes existing in a bi-inductive electrical lattice containing a bulk or a surface capacitive impurity. By means of the formalism of lattice Green's…
The quantum conductance properties of pyrene molecule and its silicone-doped variant between semi-infinite aluminum nano-chains have been investigated by using the density functional theory (DFT) combined with the non-equilibrium Green…
We study the quantum interference between impurities in d-wave superconductors within a potential scattering formalism that easily applies to multiple impurities. The evolution of the low-energy local density of states for both magnetic and…
Employing a nonequilibrium Green's function approach, we examine the effects of long-range hole-impurity scattering on spin-Hall current in $p$-type bulk semiconductors within the framework of the self-consistent Born approximation. We find…
Suppression of rectification at metal--Mott-insulator interfaces, which is previously shown by numerical solutions to the time-dependent Schr\"odinger equation and experiments on real devices, is reinvestigated theoretically by…
Electrical conduction through a two-terminal molecular device is studied using non-equilibrium Green's functions (NEGF) formalism. Such junction is made of a short linear wire which is connected to the metallic electrodes. Molecule itself…
Recently the interest in chalcopyrite semiconductor nanostructures has increased because of their non-toxicity and their wide direct bandgap. Likewise, structures with non-trivial geometry are particularly interesting because of their…
We investigate the non-equilibrium transport properties of a disordered molecular nanowire. The nanowire is regarded as a quasi-one-dimensional organic crystal composed of self-assembled molecules. One orbital and a single random energy are…
We investigate the role of a finite potential range of a nonmagnetic impurity for the local density of states in a d_{x^2-y^2} superconductor. Impurity induced subgap resonances are modified by the appearance of further scattering channels…
We present novel methods implemented within the non-equilibrium Green function code (NEGF) transiesta based on density functional theory (DFT). Our flexible, next-generation DFT-NEGF code handles devices with one or multiple electrodes…
Defects which appear in heterostructure junctions involving topological insulators are sources of gapless modes governing the low energy properties of the systems, as recently elucidated by Teo and Kane [Physical Review B82, 115120 (2010)].…
An integro-differential expression for the diffusion current of the impurities diffusing by the mechanism of bound impurity-defect pairs has been derived. The ensuing nonlocal diffusion equation generalizes the existing theories of…
The localization of electrons in the field of isolated nonmagnetic impurity atoms on the surface of a nanotube in a magnetic field is considered. A model of a Gaussian separable impurity potential capable of localizing an electron at any…
The past decade has seen the emergence of ab initio computational methods for calculating phonon-limited carrier mobilities in semiconductors with predictive accuracy. More realistic calculations ought to take into account additional…