Related papers: Recursive approach to study transport properties o…
We present a general method for calculating coherent electronic transport in quantum wires and tunnel junctions. It is based upon a real space high order finite difference representation of the single particle Hamiltonian and wave…
We present a plane wave/pseudopotential implementation of the method to calculate electron transport properties of nanostructures. The conductance is calculated via the Landauer formula within formalism of Green's functions. Nonorthogonal…
The transport in a pure one-dimensional quantum wire is investigated for any range of interactions. First, the wire is connected to measuring leads. The transmission of an incident electron is found to be perfect, and the conductance is not…
The electrical transport properties of atomic-scale conductors are reviewed, with an emphasis on the relations of this problem with studies on quantum size effects in metallic clusters. A brief introduction is given of the natural formalism…
Using the Landauer formulation of transport theory and tight binding models of the electronic structure, we study electron transport through atomic wires that form 1D constrictions between pairs of metallic nano-contacts. Our results are…
We propose a mixed analytical-ab-initio method for the accurate calculation of the conductance in monovalent atomic wires. The method relies on the most general formula for ballistic transport through a monovalent wire, whose parameters can…
The Landauer approach to transport in mesoscopic conductors has been generalized to allow for strong electronic correlations in a single-channel quantum wire. We describe in detail how to account for external voltage sources in adiabatic…
The Landauer transport formulation is generalized to the case of a dynamic scatterer with an arbitrary energy level structure, weakly coupled to a long ideal noninteracting wire. The two-terminal linear conductance of the device is…
The electron transport through the nanotube junctions which connect the different metallic nanotubes by a pair of a pentagonal defect and a heptagonal defect is investigated by Landauer's formula and the effective mass approximation. From…
The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…
Motivated by a recent prediction to engineer the dispersion relation of a waveguide constructed from atomic components [arXiv:2104.08121], we explore the possibility to create directional transport in an open, collective quantum system. The…
We propose a divide-and-conquer algorithm to find recursively the Scattering matrix of general tight-binding structures. The Scattering matrix allows a direct calculation of transport properties in mesoscopic systems by using the Landauer…
The thermal conductance by phonons of a quasi-one-dimensional solid with isotope or defect scattering is studied using the Landauer formalism for thermal transport. The conductance shows a crossover from localized to Ohmic behavior, just as…
We present a comprehensive first-principles study of the ballistic transport properties of low dimensional nanostructures such as linear chains of atoms (Al, C) and carbon nanotubes in presence of defects. A novel approach is introduced…
The electron transport through a monoatomic metallic wire connected to leads is investigated using the tight-binding Hamiltonian and Green's function technique. Analytical formulas for the transmittance are derived and M-atom oscillations…
We report the inclusion of electron-electron correlation in the calculation of transport properties within an ab initio scheme. A key step is the reformulation of Landauer's approach in terms of an effective transmittance for the…
We study the conductance threshold of clean nearly straight quantum wires in which an electron is bound. We show that such a system exhibits spin-dependent conductance structures on the rising edge to the first conductance plateau, one near…
We study contact effects on electron transport across a molecular wire sandwiched between two semi-infinite (carbon) nanotube leads as a model for nanoelectrodes. Employing the Landauer scattering matrix approach we find that the…
An easy to implement and powerful method for the solution of 3D scattering problems that can be well described by Helmholtz equation is presented. The matrix algebra used provides excellent stability versus the number of junctions as well…
We study the transport properties of a quantum wire, described by the Tomonaga-Luttinger model, in the presence of a backscattering potential provided by several extended time-dependent impurities (barriers). Employing the B\"…