Related papers: Zero-bias molecular electronics: Exchange-correlat…
We develop a new numerical method to calculate the Landauer conductance through an interacting electron system in the first order perturbation or in the self-consistent Hartree-Fock approximation. It is applied to one and two dimensional…
The role of exchange-correlation effects in non-equilibrium quantum transport through molecular junctions is assessed by analyzing the IV curve of a generic two-level model using self-consistent many-body perturbation theory (second Born…
Theoretical foundations of electron transport in mesoscopic systems, based on Landauer theory, Master equations or Onsager linear thermodynamics, are revisited to show that the noniteracting electrons model is insufficient to describe…
Redox molecular junctions are molecular conduction junctions that involve more than one oxidation state of the molecular bridge. This property is derived from the ability of the molecule to transiently localize transmitting electrons,…
Theoretical approaches of electronic transport in correlated molecules usually consider an extended molecule, which includes, in addition to the molecule itself, parts of electrodes. In the case where electron correlations remain confined…
In this paper, we consider the energy cost of communicating using molecular communication. In a simplified scenario, we show that the energy bound in Landauer's principle can be achieved, implying that molecular communication can approach…
Experimental studies on single-molecule junctions are typically in need of a simple theoretical approach that can reproduce or be fitted to experimentally measured transport data. In this context, the single-level variant of the Landauer…
We present a refined semiclassical approach to the Landauer conductance and Kubo conductivity of clean chaotic mesoscopic systems. We demonstrate for systems with uniformly hyperbolic dynamics that including off-diagonal contributions to…
We present magnetotransport calculations for homogeneous two-dimensional electron systems including the Rashba spin-orbit interaction, which mixes the spin-eigenstates and leads to a modified fan-chart with crossing Landau levels. The…
Marcus and Landauer-Buttiker approaches to charge transport through molecular junctions describe two contrasting mechanisms of electronic conduction. In previous work, we have shown how these charge transport theories can be unified in the…
We discuss the conductance of a molecular bridge between mesoscopic electrodes supporting low-dimensional transport and bearing an internal structure. As an example for such nanoelectrodes we assume semi-infinite (carbon) nanotubes. In the…
Landauer's formula relates the conductance of a quantum wire or interface to transmission probabilities. Total transmission probabilities are frequently calculated using Green function techniques and an expression first derived by Caroli.…
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated…
The Landauer formula provides a general scattering formulation of electrical conduction. Despite its utility, it has been mainly applied to the linear-response regime, and a scattering theory of nonlinear response has yet to be fully…
In computing electric conductivity based on the Kubo formula, the vertex corrections describe such effects as anisotropic scattering and quantum interference and are important to quantum transport properties. These vertex corrections are…
The conductivity of an electron gas can be alternatively calculated either from the current--current or from the density--density correlation function. Here, we compare these two frequently used formulations of the Kubo formula for the…
For an isotropic single-band system, it is well known that the semiclassical Boltzmann transport theory within the relaxation time approximation and the Kubo formula with the vertex corrections provide the same result with the…
An analytic approach to the electron transport phenomena in molecular devices is presented. Analyzed devices are composed of organic molecules attached to the two semi-infinite electrodes. Molecular system is described within the…
Electron transport is theoretically investigated in a molecular device made of anthracene molecule attached to the electrodes by thiol end groups in two different configurations (para and meta, respectively). Molecular system is described…
Transport measurements are one of the most widely used methods of characterizing small systems in chemistry and physics. When interactions are negligible, the current through quantum dots, nanowires, molecular junctions, and other submicron…