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Vibrationally inelastic electron transport through a molecular bridge that is connected to two leads is investigated. The study is based on a generic model of vibrational excitation in resonant transmission of electrons through a molecular…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Martin Cizek , Michael Thoss , Wolfgang Domcke

We consider electrical transport through single molecules coupled to metal electrodes via tunneling barriers. Approximating the molecule by the Anderson impurity model as the simplest model which includes Coulomb charging effects, we extend…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Axel Thielmann , Matthias H. Hettler , Jürgen König , Gerd Schön

Electronic transport through a two-level system driven by external electric field and coupled to (magnetic or non-magnetic) electron reservoirs is considered theoretically. The basic transport characteristics such as current and tunnel…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Piotr Trocha

The transport and fluctuation properties of organic molecules ordered parallel between two Au contact leads are investigated by the method of surface Green function. From first-principles simulation the relevant hopping parameters are…

Mesoscale and Nanoscale Physics · Physics 2009-04-03 K. Morawetz S. Gemming , R. Luschtinetz , T. Kunze , P. Lipavský , L. M. Eng , G. Seifert , V. Pankoke , P. Milde

Transport through a molecule sandwiched between two metallic electrodes and coupled to a mesoscopic ring that threads a magnetic flux $\phi$ is studied. An analytic approach for the electron transport through the molecular bridge system is…

Mesoscale and Nanoscale Physics · Physics 2010-01-10 Santanu K. Maiti

In the present work, we theoretically analyze the steady-state thermoelectric transport through a single-molecule junction with a vibrating bridge. Thermally induced charge current in the system is explored using a nonequilibrium Green's…

Mesoscale and Nanoscale Physics · Physics 2016-06-21 Natalya A. Zimbovskaya

The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 P. S. Cornaglia , D. R. Grempel , H. Ness

We explore electron transport properties for the model of benzene-1, 4-dithiolate (BDT) molecule and for some other geometric models of benzene molecule attached to two semi-infinite one-dimensional metallic electrodes using the Green's…

Mesoscale and Nanoscale Physics · Physics 2010-04-13 Santanu K. Maiti

We present a theory of tunneling and resonant transitions in one-dimensional molecular systems which is based on Green's function theory of electron sub-barrier scattering off the structural units (or functional groups) of a molecular…

Other Condensed Matter · Physics 2007-05-23 I. I. Oleynik , M. A. Kozhushner , V. S. Posvyanskii

We discuss the general transport properties of superconducting quantum point contacts. We show how these properties can be obtained from a microscopic model using nonequilibrium Green function techniques. For the case of a one-channel…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 A. Martin-Rodero , A. Levy Yeyati , J. C. Cuevas

We study dynamic nonequilibrium electron charging phenomena in ballistic molecular devices at room temperature that compromise their response to bias and whose nature is evidently distinguishable from static Schottky-type potential…

Mesoscale and Nanoscale Physics · Physics 2008-05-13 Ioannis Deretzis , Antonino La Magna

We present a combined theoretical approach to study the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes and exhibiting strong electron-phonon interactions. We use the Keldysh Green function formalism…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 R. C. Monreal , F. Flores , A. Martin-Rodero

We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Troels Markussen , Mattias Palsgaard , Daniele Stradi , Tue Gunst , Mads Brandbyge , Kurt Stokbro

Electron transport properties of a biphenyl molecule are studied based on the Green's function formalism. The molecule is sandwiched between two metallic electrodes, where each benzene ring is threaded by a magnetic flux $\phi$. The results…

Mesoscale and Nanoscale Physics · Physics 2009-09-15 Santanu K. Maiti

Spin and charge transport through a quantum dot coupled to external nonmagnetic leads is analyzed theoretically in terms of the non-equilibrium Green function formalism based on the equation of motion method. The dot is assumed to be…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 R. Swirkowicz , J. Barnas , M. Wilczynski

We do parametric calculations to elucidate multi-terminal electron transport properties through a molecular system where a single phenalenyl molecule is attached to semi-infinite one-dimensional metallic leads. A formalism based on the…

Mesoscale and Nanoscale Physics · Physics 2010-05-25 Paramita Dutta , Santanu K. Maiti , S. N. Karmakar

The effects of different contact geometries, bond dimerization, and gate voltage on quantum transport through a C$_{60}$ molecule are studied by the Landauer-B\"{u}ttiker formula based on the Green's function technique. It is shown that the…

Mesoscale and Nanoscale Physics · Physics 2008-08-12 Alireza Saffarzadeh

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 investigate the electron transport properties of a model magnetic molecule formed by two magnetic centers whose exchange coupling can be altered with a longitudinal electric field. In general we find a negative differential conductance…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Sujeet K. Shukla , Stefano Sanvito

With this study we analyze the fluctuations of an electronic only heat current across a molecular wire. The wire is composed of a single energy level which connects to two leads which are held at different temperatures. By use of the Green…

Mesoscale and Nanoscale Physics · Physics 2011-11-24 Fei Zhan , Sergey Denisov , Peter Hanggi