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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…

介观与纳米尺度物理 · 物理学 2010-10-26 R. Härtle , C. Benesch , M. Thoss

The effect of vibrational motion on resonant charge transport through single molecule junctions is investigated. The study is based on a combination of first-principles electronic structure calculations to characterize the system and…

其他凝聚态物理 · 物理学 2007-12-24 Claudia Benesch , Martin Cizek , Jiri Klimes , Michael Thoss , Wolfgang Domcke

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…

介观与纳米尺度物理 · 物理学 2015-06-09 A. Erpenbeck , R. Härtle , M. Thoss

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…

介观与纳米尺度物理 · 物理学 2016-03-23 Andre Erpenbeck , Rainer Härtle , Michel Bockstedte , Michael Thoss

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…

介观与纳米尺度物理 · 物理学 2011-03-15 R. Härtle , M. Thoss

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.…

介观与纳米尺度物理 · 物理学 2009-11-11 C. Benesch , M. Thoss , W. Domcke , M. Cizek

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…

介观与纳米尺度物理 · 物理学 2013-02-18 R. Härtle , M. Butzin , M. Thoss

We analyze various limits of vibrationally coupled resonant electron transport in single-molecule junctions. Based on a master equation approach, we discuss analytic and numerical results for junctions under a high bias voltage or weak…

介观与纳米尺度物理 · 物理学 2015-03-18 R. Härtle , M. Thoss

The interaction between electronic and vibrational degrees of freedom is an important mechanism in nonequilibrium charge transport through molecular nanojunctions. While adiabatic polaron-type coupling has been studied in great detail, new…

介观与纳米尺度物理 · 物理学 2022-06-10 Christoph Kaspar , André Erpenbeck , Jakob Bätge , Christian Schinabeck , Michael Thoss

We consider the interaction between electrons and molecular vibrations in the context of electronic transport in nanoscale devices. We present a method based on non-equilibrium Green's functions to calculate both equilibrium and…

介观与纳米尺度物理 · 物理学 2010-03-16 L. K. Dash , H. Ness , R. W. Godby

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…

介观与纳米尺度物理 · 物理学 2015-05-19 Rainer Härtle , Roie Volkovich , Michael Thoss , Uri Peskin

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…

介观与纳米尺度物理 · 物理学 2016-06-21 Natalya A. Zimbovskaya

Quantum transport through single molecules is essentially affected by molecular vibrations. We investigate the behavior of the prototype single-level model with intermediate electron-vibron coupling and arbitrary coupling to the leads. We…

介观与纳米尺度物理 · 物理学 2009-11-13 Dmitry A. Ryndyk , Gianaurelio Cuniberti

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…

介观与纳米尺度物理 · 物理学 2014-09-26 C. Schinabeck , R. Härtle , H. B. Weber , M. Thoss

We theoretically analyzed inelastic effects in the electron transport through molecular junctions originating from electron-vibron interactions. The molecular bridge was simulated by a periodic chain of identical interacting hydrogen-like…

材料科学 · 物理学 2010-01-03 Natalya A. Zimbovskaya , Maija M. Kuklja

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…

介观与纳米尺度物理 · 物理学 2007-05-23 D. A. Ryndyk , M. Hartung , G. Cuniberti

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…

介观与纳米尺度物理 · 物理学 2015-05-27 A. Ueda , O. Entin-Wohlman , A. Aharony

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…

介观与纳米尺度物理 · 物理学 2010-03-26 Thomas Olsen , Jakob Schiøtz

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…

介观与纳米尺度物理 · 物理学 2017-02-01 A. Ueda , Y. Utsumi , Y. Tokura , O. Entin-Wohlman , A. Aharony

Quantum interference effects and decoherence mechanisms in single-molecule junctions are analyzed employing a nonequilibrium Green's function approach. Electrons tunneling through quasi-degenerate states of a nanoscale molecular junction…

介观与纳米尺度物理 · 物理学 2011-07-25 R. Härtle , M. Butzin , O. Rubio-Pons , M. Thoss
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