Related papers: First Principles Quantum Transport with Electron-v…
Linear and non-linear transport properties through an atomic-size point contact based on oxides two-dimensional electron gas is examined using the tight-binding method and the $\mathbf{k\cdot p}$ approach. The ballistic transport is…
Quantum transport of strongly correlated fermions is of central interest in condensed matter physics. Here, we present first-principle nonequilibrium Green functions results using $T$-matrix selfenergies for finite Hubbard clusters of…
This work derives the Navier--Stokes hydrodynamic equations for a model of a confined, quasi-two-dimensional, $s$-component mixture of inelastic, smooth, hard spheres. Using the inelastic version of the revised Enskog theory, macroscopic…
Impressive advances in the field of molecular spintronics allow one to study electron transport through individual magnetic molecules embedded between metallic leads in the purely quantum regime of single electron tunneling. Besides…
We present an extension of the modular recursive Green's function method (MRGM) for ballistic quantum transport to include magnetic fields. Dividing the non-separable two-dimensional scattering problem into separable substructures allows us…
Ballistic transport of electrons through a quantum wire with a constriction is studied in terms of Bohm's interpretation of quantum mechanics, in which the concept of a particle orbit is permitted. The classical bouncing ball trajectories,…
Electrical transport in semiconductor superlattices is studied within a fully self-consistent quantum transport model based on nonequilibrium Green functions, including phonon and impurity scattering. We compute both the drift…
We present a robust algorithm that computes (maximally localized) Wannier functions (WFs) without the need of providing an initial guess. Instead, a suitable starting point is constructed automatically from so-called local orbitals which…
Probing energy-dependent transport in quantum simulators requires preparing states with tunable energy and small energy variance. Existing approaches often study quench dynamics of simple initial states, such as computational basis states,…
By means of a multi-scale first-principles approach, a description of the local electronic structure of two-dimensional and narrow phosphorene sheets with various types of modifications is presented. First, a rational argument based on the…
We explore the charge transport mechanism in organic semiconductors based on a model that accounts for the thermal intermolecular disorder at work in pure crystalline compounds, as well as extrinsic sources of disorder that are present in…
Carbon nanotubes are of central importance for applications in nano-electronics thanks to their exceptional transport properties. They can be used as sensors, for example in biological applications, provided that they are functionalized to…
We derive transport equations for fermions and bosons in spatially or temporally varying backgrounds with special symmetries, by use of the Schwinger-Keldysh formalism. In a noninteracting theory the coherence information is shown to be…
Quantized transport is a prominent feature in topological physics, with canonical examples being the quantum Hall effect and adiabatic Thouless pump, which are based on the Chern number, a topological invariant of 2D systems. Going beyond…
Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a short linear wire which is connected to para- and ferromagnetic electrodes. Molecule…
We have modeled transport properties of nanostructures using the Green's function method within the framework of the density-functional theory. The scheme is computationally demanding so that numerical methods have to be chosen carefully. A…
The theory of Bloch electron dynamics for carriers in homogeneous electric and magnetic fields of arbitrary time dependence is developed in the framework of the Liouville equation. The Wigner distribution function (WDF) is determined from…
This paper extends an earlier quantum kinetics treatment for dilute, weakly-interacting, partially Bose-Einstein condensed gases, presented by the author elsewhere [J. Res. Natl. Inst. Stand. Technol. 101, 457 (1996)], by consistently…
The many electron correlated scattering (MECS) approach to quantum electronic transport was investigated in the linear response regime [I. Baldea and H. Koeppel, Phys. Rev. B. 78, 115315 (2008)]. The authors suggest, based on numerical…
We study electronic transport through a quantum point contact, where the interaction between the electrons is approximated by a contact potential. Our numerical approach is based on the non-equilibrium Green function technique which is…