Related papers: One-dimensional ballistic transport with FLAPW Wan…
We present a longitudinal electrical conductivity calculation method for disordered alloys applicable from a wide range of density functional theory (DFT) codes based on the first-principles Wannier-based coherent potential approximation…
A combination of ab initio simulations and linear-scaling Green's functions techniques is used to analyze the transport properties of long (up to one micron) carbon nanotubes with realistic disorder. The energetics and the influence of…
This tutorial article gives an introduction to the methods needed to treat interacting electrons in a quantum wire with a single occupied band. Since one-dimensional Fermions cannot be described in terms of noninteracting quasiparticles,…
We investigate transport properties of gate-all-around Si nanowires using non-equilibrium Green's function technique. By taking into account of the ionized impurity scattering we calculate Green's functions self-consistently and examine the…
We develop a first-principles electron-transport simulator based on the Lippmann--Schwinger (LS) equation within the framework of the real-space finite-difference scheme. In our fully real-space based LS (grid LS) method, the ratio…
A code for calculating the semi-classical thermoelectric and electronic transport properties is described. It uses the Landauer transport theory, which is equivalent to the Boltzmann theory, by introducing a central quantity-the…
The dynamics of Brownian motion has widespread applications extending from transport in designed micro-channels up to its prominent role for inducing transport in molecular motors and Brownian motors. Here, Brownian transport is studied in…
In this paper we present and discuss our results for the conductance and conductance fluctuations of narrow quantum wires with two types of disorder: boundary roughness (hard wall confining potential) and islands of strongly scattering…
Thermal conductivity measurements can provide key and experimentally verifiable insight into the electronic transport of unconventional superconductors. In this work, electronic thermal transport of two-dimensional tight-binding metallic…
Here we present a theoretical analysis of the effect of inelastic electron scattering on spin-dependent transport characteristics (conductance, current-voltage dependence, magnetoresistance, shot noise spectrum, Fano factor) for magnetic…
With its monoelemental composition, various crystalline forms and an inherently strong spin-orbit coupling, bismuth has been regarded as an ideal prototype material to expand our understanding of topological electronic structures. In…
Wannier functions provide a localized representation of spectral subspaces of periodic Hamiltonians, and play an important role for interpreting and accelerating Hartree-Fock and Kohn-Sham density functional theory calculations in quantum…
In the present work, we have investigated ballistic quantum transport in vertical halo implanted p plus minus GaSb InAs n TFETs. We have investigated the current voltage characteristics, ON current, OFF current leakage, subthreshold swing…
A one--dimensional gas of electrons interacting with long--range Coulomb forces ($V(r) \approx 1/r$) is investigated. The excitation spectrum consists of separate collective charge and spin modes, with the charge excitation energies in…
We have calculated the maximally-localized Wannier functions of MnO in its antiferromagnetic (AFM) rhombohedral unit cell, which contains two formula units. Electron Bloch functions are obtained with the linearized augmented plane-wave…
We present a detailed numerical study of the electronic transport properties of bilayer and trilayer graphene within a framework of single-electron tight-binding model. Various types of disorder are considered, such as resonant (hydrogen)…
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…
Nonequilibrium electronic transport through a quantum dot coupled to ferromagnetic leads (electrodes) is studied theoretically by the nonequilibrium Green function technique. The system is described by the Anderson model with arbitrary…
A generalized Landauer formula, derived with the methods due to Keldysh, and Baym and Kadanoff, is gaining widespread use in the modeling of transport in a large number of different mesoscopic systems. We review some of the recent…
A new method for calculation of band structure has been proposed based on the Green's function theory and local sampling. Potential energy in the Hamiltonian of Schrodinger's equation is approximated with a series of sampled Dirac delta…