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Finite-bias electron transport through single molecules generally induces nonequilibrium molecular vibrations (phonons). By a mapping to a Fokker-Planck equation, we obtain analytical scaling forms for the nonequilibrium phonon distribution…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Jens Koch , Matthias Semmelhack , Felix von Oppen , Abraham Nitzan

We theoretically examine the effect of the coupling of the transport electrons to a vibrational mode of the molecule on the ac linear-response conductance of molecular junctions. Representing the molecule by a single electronic state, we…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 A. Ueda , O. Entin-Wohlman , A. Aharony

As a step towards a more realistic modeling of vibrations in single-molecule devices, we investigate the effects of charge-dependent vibrational frequencies and anharmonic potentials on electronic transport. For weak phonon relaxation, we…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Jens Koch , Felix von Oppen

We present a detailed study of the conduction properties of a molecular wire where hopping processes between electronic sites are coupled to a vibrational mode of the molecule. The latter is sandwiched between two electronic leads at finite…

Mesoscale and Nanoscale Physics · Physics 2017-05-24 Simon Pigeon , Lorenzo Fusco , Gabriele De Chiara , Mauro Paternostro

We consider the nonequilibrium quantum vibrations of a molecule clamped between two macroscopic leads in a current-carrying state at finite voltages. Our approach is based on the nonequilibrium Green function technique and the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 D. A. Ryndyk , M. Hartung , G. Cuniberti

Here we present theoretical studies of the effect of vibronic coupling on nonlinear transport characteristics (current-voltage and conductance-voltage) in molecular electronic devices. Considered device is composed of molecular quantum dot…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Kamil Walczak

Electron transport through molecular quantum dots coupled to a single vibrational mode is studied in the Kondo regime. We apply a generalized Schrieffer-Wolff transformation to determine the effective low-energy…

Strongly Correlated Electrons · Physics 2007-05-23 Jens Paaske , Karsten Flensberg

The influence of vibrational motion on electron conduction through single molecules bound to metal electrodes is investigated employing first-principles electronic-structure calculations and projection-operator Green's function methods.…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 C. Benesch , M. Thoss , W. Domcke , M. Cizek

Experiments studying vibrational effects on electronic transport through single molecules have observed several seemingly inconsistent behaviors, ranging from up to 30 harmonics of a vibrational frequency in one experiment, to an absence of…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Vivek Aji , J. E. Moore , C. M. Varma

We investigate the nonequilibrium population of a vibrational mode in the steady state of a biased molecular junction, using a rate equation approach. We focus on the limit of weak electronic-vibrational coupling and show that, in the…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 Rainer Härtle , Manas Kulkarni

We calculate characteristic correlation functions for the Anderson model with additional phonon-assisted coupling to the odd conduction channel. This model describes, for example, the behavior of a molecule embedded between two electrodes…

Mesoscale and Nanoscale Physics · Physics 2008-03-05 Jernej Mravlje , Anton Ramsak , Rok Zitko

We theoretically analyze correlation effects on the transport properties of a benzene molecule that are mediated by interactions between the motion of the nuclei and the transmitted charge. We focus on the lowest-lying molecular vibrational…

Mesoscale and Nanoscale Physics · Physics 2013-08-09 Michael Knap , Enrico Arrigoni , Wolfgang von der Linden

In this work, we present a proof-of-concept investigation of non-equilibrium chemical reaction dynamics at a molecule-electrode interface, driven out of equilibrium by an applied votage bias and mediated by a confined, enhanced vacuum…

Chemical Physics · Physics 2025-12-15 Yaling Ke

We carry out experiments on single-molecule junctions at low temperatures, using the mechanically controlled break junction technique. Analyzing the results received with more than ten different molecules the nature of the first peak in the…

Mesoscale and Nanoscale Physics · Physics 2012-03-21 Daniel Secker , Stefan Wagner , Stefan Ballmann , Rainer Härtle , Michael Thoss , Heiko B. Weber

The influence of multiple vibrational modes on current fluctuations in electron transport through single-molecule junctions is investigated. Our analysis is based on a generic model of a molecular junction, which comprises a single…

Mesoscale and Nanoscale Physics · Physics 2014-09-26 C. Schinabeck , R. Härtle , H. B. Weber , M. Thoss

The influence of an electron-vibrational coupling on the laser control of electron transport through a molecular wire that is attached to several electronic leads is investigated. These molecular vibrational modes induce an effective…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Jörg Lehmann , Sigmund Kohler , Volkhard May , Peter Hänggi

Transport through molecular contacts with a sluggish intramolecular vibrational mode strongly coupled to excess charges is studied far from equilibrium. A Born-Oppenheimer approximation in steady state reveals voltage dependent energy…

Mesoscale and Nanoscale Physics · Physics 2012-06-27 Lars Kecke , Joachim Ankerhold

The linear conductance of a molecular conductor oscillating between two metallic leads is investigated numerically both for Hubbard interacting and noninteracting electrons. The molecule-leads tunneling barriers depend on the molecule…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 K. A. Al-Hassanieh , C. A. Büsser , G. B. Martins , E. Dagotto

We analytically tackle opto-vibronic interactions in molecular systems driven by either classical or quantum light fields. In particular, we examine a simple model of molecules with two relevant electronic levels, characterized by potential…

Quantum Physics · Physics 2024-02-28 Q. Zhang , M. Asjad , M. Reitz , C. Sommer , B. Gurlek , C. Genes

We calculate the effect of electron-vibration coupling on conduction through atomic gold wires, which was measured in the experiments of Agra\"it et al. [Phys. Rev. Lett. 88, 216803 (2002)]. The vibrational modes, the coupling constants,…

Mesoscale and Nanoscale Physics · Physics 2009-05-24 J. K. Viljas , J. C. Cuevas , F. Pauly , M. Häfner
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