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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

We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling strengths may depend on the charge and excitation state of the…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Andre Erpenbeck , Rainer Härtle , Michel Bockstedte , Michael Thoss

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 coupling of the charge carriers passing through a molecule bridging two bulky conductors with local vibrational modes of the molecule, gives rise to distinct features in the electronic transport properties on one hand, and to…

Mesoscale and Nanoscale Physics · Physics 2017-02-01 A. Ueda , Y. Utsumi , Y. Tokura , O. Entin-Wohlman , A. Aharony

Vibronic effects in resonant electron transport through single-molecule junctions are analyzed. The study is based on generic models for molecular junctions, which include electronic states on the molecular bridge that are vibrationally…

Mesoscale and Nanoscale Physics · Physics 2011-03-15 R. Härtle , M. Thoss

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 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 show that individual vibrational modes in single-molecule junctions with asymmetric molecule-lead coupling can be selectively excited by applying an external bias voltage. Thereby, a non-statistical distribution of vibrational energy can…

Mesoscale and Nanoscale Physics · Physics 2017-09-13 R. Volkovich , R. Härtle , M. Thoss , U. Peskin

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

The interaction between electronic and vibrational degrees of freedom in single-molecule junctions may result from the dependence of the electronic energies or the electronic states of the molecular bridge on the nuclear displacement. The…

Mesoscale and Nanoscale Physics · Physics 2015-06-09 A. Erpenbeck , R. Härtle , M. Thoss

Electron coupling to intra- and inter-molecular vibrational modes is investigated in models appropriate to single crystal organic semiconductors, such as oligoacenes. Focus is on spectral and transport properties of these systems beyond…

Strongly Correlated Electrons · Physics 2015-05-28 C. A. Perroni , V. Marigliano Ramaglia , V. Cataudella

The role of multimode vibrational dynamics in electron transport through single molecule junctions is investigated. The study is based on a generic model, which describes charge transport through a single molecule that is attached to metal…

Mesoscale and Nanoscale Physics · Physics 2010-10-26 R. Härtle , C. Benesch , 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

We investigate the interplay of quantum interference effects and electronic-vibrational coupling in electron transport through single-molecule junctions, employing a nonequilibrium Green's function approach. Our findings show that inelastic…

Mesoscale and Nanoscale Physics · Physics 2013-02-18 R. Härtle , M. Butzin , M. Thoss

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

Vibrational nonequilibrium effects in charge transport through single-molecule junctions are investigated. Focusing on molecular bridges with multiple electronic states, it is shown that electronic-vibrational coupling triggers a variety of…

Mesoscale and Nanoscale Physics · Physics 2011-03-15 R. Härtle , C. Benesch , M. Thoss

We propose a mechanism which allows one to control the transmission of single electrons through a molecular junction. The principle utilizes the emergence of transmission sidebands when molecular vibrational modes are coupled to the…

Mesoscale and Nanoscale Physics · Physics 2010-03-26 Thomas Olsen , Jakob Schiøtz

We investigate on the same footing the time-dependent electronic transport properties and vibrational dynamics of a molecular junction. We show that fluctuations of both the molecular vibron displacement and the electronic current across…

Mesoscale and Nanoscale Physics · Physics 2019-03-27 Rémi Avriller , R Souto , A. Martin-Rodero , A Yeyati

In a nanoscale molecular junction at finite bias voltage,the intra-molecular distribution of vibrational energy can strongly deviate from the thermal equilibrium distribution and specific vibrational modes can be selectively excited in a…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 Rainer Härtle , Roie Volkovich , Michael Thoss , Uri Peskin

The linear thermoelectric properties of molecular junctions are theoretically studied close to room temperature within a model including electron-electron and electron-vibration interactions on the molecule. A nonequilibrium adiabatic…

Mesoscale and Nanoscale Physics · Physics 2015-11-26 C. A. Perroni , D. Ninno , V. Cataudella
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