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We present a theoretical analysis aimed at understanding electrical conduction in molecular tunnel junctions. We focus on discussing the validity of coherent versus incoherent theoretical formulations for single-level tunneling to explain…

Mesoscale and Nanoscale Physics · Physics 2016-06-06 Alvar R. Garrigues , Li Yuan , Lejia Wang , Eduardo R. Mucciolo , Damien Thompson , Enrique del Barco , Christian A. Nijhuis

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…

Strongly Correlated Electrons · Physics 2009-11-10 A. Ferretti , A. Calzolari , R. Di Felice , F. Manghi , M. J. Caldas , M. Buongiorno Nardelli , E. Molinari

The non-equilibrium tunnel transport processes are considered in a square lattice of metallic nanogranules embedded into insulating host. Based on a simple model with three possible charging states (+,-, or 0) of a granule and three kinetic…

Materials Science · Physics 2007-05-23 Yu. G. Pogorelov , J. F. Polido

We present a self-consistent method for the evaluation of the electronic current flowing through a multi-terminal molecular wire. The method is based on Buttiker- Landauer theory which relates the current to one-electron scattering…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Eldon G. Emberly , George Kirczenow

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…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Ioan Baldea , Horst Koppel , Robert Maul , Wolfgang Wenzel

Vibrationally inelastic electron transport through a flexible molecular junction is investigated. The study is based on a mechanistic model for a biphenyl molecule between two metal electrodes. Employing methods from electron-molecule…

Mesoscale and Nanoscale Physics · Physics 2023-07-26 Martin Cizek , Michael Thoss , Wolfgang Domcke

Motivated by recent experiments on electric transport through single molecules and quantum dots, we investigate a model for transport that allows for significant coupling between the electrons and a boson mode isolated on the molecule or…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Urban Lundin , Ross H. McKenzie

An electron transport is studied in the system which consists of scanning tunneling microscopy-single molecule magnet-metal. Due to quantum tunneling of magnetization in single-molecule magnet, linear response conductance exhibits stepwise…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Gwang-Hee Kim , Tae-Suk Kim

The realization of single-molecule thermal conductance measurements has driven the need for theoretical tools to describe conduction processes that occur over atomistic length scales. In macroscale systems, the principle that is typically…

Mesoscale and Nanoscale Physics · Physics 2023-05-17 Galen T. Craven , Abraham Nitzan

Recent experimental developments in multimode nonlinear photonic circuits (MMNPC), have motivated the development of an optical thermodynamic theory that describes the equilibrium properties of an initial beam excitation. However, a…

Metallic atomic junctions pose the ultimate limit to the scaling of electrical contacts. They serve as model systems to probe electrical and thermal transport down to the atomic level as well as quantum effects occurring in one-dimensional…

Mesoscale and Nanoscale Physics · Physics 2017-05-24 Nico Mosso , Ute Drechsler , Fabian Menges , Peter Nirmalraj , Siegfried Karg , Heike Riel , Bernd Gotsmann

The theory for electron transport in simple liquids developed by Cohen and Lekner is extended to simple liquid mixtures. The focus is on developing benchmark models for binary mixtures of hard-spheres, using the Percus-Yevick model to…

We present an atomistic theory of electronic transport through single organic molecules that reproduces the important features of the current-voltage characteristics observed in recent experiments. We trace these features to their origin in…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 J. Heurich , J. C. Cuevas , W. Wenzel , G. Schoen

The interplay between electronic interactions and disorder is neglected in the conventional Boltzmann theory of transport, yet can play an essential role in determining the resistivity of unconventional metals. When quasiparticles are…

Strongly Correlated Electrons · Physics 2018-01-10 Andrew Lucas , Sean A. Hartnoll

Recent experiments on conduction between a semiconductor and a superconductor have revealed a variety of new mesoscopic phenomena. Here is a review of the present status of this rapidly developing field. A scattering theory is described…

Mesoscale and Nanoscale Physics · Physics 2008-02-03 C. W. J. Beenakker

In this work we theoretically study properties of electric current driven by a temperature gradient through a quantum dot/molecule coupled to the source and drain charge reservoirs. We analyze the effect of Coulomb interactions between…

Mesoscale and Nanoscale Physics · Physics 2015-12-01 Natalya A. Zimbovskaya

We study electron transport in molecular nanojunctions that are driven by incoherent radiation using Markovian quantum dynamics based on the Lindblad quantum master equation. General expressions for the transient electron and photon…

Mesoscale and Nanoscale Physics · Physics 2026-04-01 Felipe Recabal , Felipe Herrera

A theory of electronic transport through molecular wires is applied to analyze characteristics of a long-range electron transfer (ET) through molecular bridges in macromolecules with complex donor/acceptor subsystems. Assuming a coherent…

Soft Condensed Matter · Physics 2007-05-23 Natalya A. Zimbovskaya

We prove that the transport of any differentiable scalar observable in $d$-dimensional non-equilibrium systems is bounded from above by the total entropy production scaled by the amount the observation "stretches" microscopic coordinates.…

Statistical Mechanics · Physics 2024-10-10 Cai Dieball , Aljaž Godec

On the basis of the Keldysh method of non-equilibrium systems, we develop a theory of electron tunneling in normal-metal/superconductor junctions. By using the tunneling Hamiltonian model (being appropriate for the tight-binding systems),…

Superconductivity · Physics 2009-10-31 Xin-Zhong Yan , Hongwei Zhao , Chia-Ren Hu