Related papers: One-dimensional ballistic transport with FLAPW Wan…
In this paper, we consider nonlinear diffusion processes driven by space-time white noises, which have an interpretation in terms of partial differential equations. For a specific choice of coefficients, they correspond to the Landau…
Electronic transport is theoretically investigated in laterally confined semiconductor superlattices using the formalism of non-equilibrium Green's functions. The transport properties are calculated for nanowire superlattices of varying…
In this letter we study the coherent electronic transport through a metallic nanowire with magnetic impurities. The spins of these impurities are considered as frozen to mimic a low temperature spin glass phase. The transport properties of…
A versatile method for combining density functional theory (DFT) in the local density approximation (LDA) with dynamical mean-field theory (DMFT) is presented. Starting from a general basis-independent formulation, we use Wannier functions…
Electron transport properties in nanostructures can be modeled, for example, by using the semiclassical Wigner formalism or the quantum mechanical Green's functions formalism. We compare the performance and the results of these methods in…
The steady-state electronic transport across periodically driven systems can be efficiently addressed using Landauer-B\"{u}ttiker formalism. The time-dependent nonequilibrium Green's function theory then may be adapted for developing direct…
We study electronic transport in two-dimensional spin-orbit coupled electron gas subjected to an in-plane magnetic field. The interplay of the spin-orbit interaction and the magnetic field leads to the Van Hove singularity of the density of…
Thanks to the nearsightedness principle, the low-energy electronic structure of solids can be represented by localized states such as the Wannier functions. Wannier functions are actively being applied to a wide range of phenomena in…
We present an efficient {\it ab initio} approach for the study of magnetic transport properties based on the Boltzmann equation with the Wannier interpolation scheme. Within the relaxation time approximation, band-resolved electric…
We explore spin dependent transport through a magnetic quantum wire which is attached to two non-magnetic metallic electrodes. We adopt a simple tight-binding Hamiltonian to describe the model where the quantum wire is attached to two…
Scattering theory is employed to derive a Landauer-type formula for the spin and the charge currents, through a finite region where spin-orbit interactions are effective. It is shown that the transmission matrix yields the spatial direction…
We study the quantum transport through networks of diffusive wires connected to reservoirs in the Landauer-B\"uttiker formalism. The elements of the conductance matrix are computed by the diagrammatic method. We recover the combination of…
Maximally localized Wannier functions (MLWFs) are conventionally constructed by iteratively minimizing a spread functional over a high-dimensional gauge landscape. In this work, we present a non-variational constructive algorithm that…
We report on the implementation of the Wannier Functions (WFs) formalism within the full-potential linearized augmented plane wave method (FLAPW), suitable for bulk, film and one-dimensional geometries. The details of the implementation, as…
We report on Landauer-B\"uttiker studies of anomalous Hall transport in a two-dimensional electron gas with Rashba spin-orbit coupling and a magnetization provided by localized magnetic moments. Our system is described by a discretized…
In this thesis we study electron transport through magnetic nanocontacts and nanowires with ab initio quantum transport calculations. The aim is to gain a thorough understanding of the interplay between electrical conduction and magnetism…
We investigate the ballistic electron transport in a monolayer graphene with configurational averaged impurities, located between two clean graphene leads. It is shown that the electron transmission are strongly dependent on the…
We study the effects of charged impurity scattering on the electronic transport properties of <110>-oriented Si nanowires in a gate-all-around geometry, where the impurity potential is screened by the gate, gate oxide and conduction band…
We present a novel implementation of the first-principles approach to molecular charge transport using the non-equilibrium Green's function formalism in combination with the ADF/BAND periodic band-structure DFT code, together with results…
We study quantum transport in Q1D wires made of a 2D conductor of width W and length L>>W. Our aim is to compare an impurity-free wire with rough edges with a smooth wire with impurity disorder. We calculate the electron transmission…