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The conductance through a molecular device including electron-electron and electron-phonon interactions is calculated using the Numerical Renormalization Group method. At low temperatures and weak electron-phonon coupling the properties of…

Strongly Correlated Electrons · Physics 2007-05-23 P. S. Cornaglia , H. Ness , D. R. Grempel

Electronic transport in a model molecular device coupled to local phonon modes is theoretically analyzed. The method allows for obtaining an accurate approximation of the system's quantum state irrespective of the electron and phonon energy…

Mesoscale and Nanoscale Physics · Physics 2007-10-10 Antonino La Magna , Ioannis Deretzis

The soft character of organic materials leads to strong coupling between molecular nuclear and electronic dynamics. This coupling opens the way to control charge transport in organic electronic devices by inducing molecular vibrational…

We theoretically analyze the spectrum of a magnetic molecule when its charge and spin can couple to the molecular vibrations. More specifically, we show that the interplay between charge-vibron and spin-vibron coupling leads to a…

Mesoscale and Nanoscale Physics · Physics 2018-07-04 Ahmed Kenawy , Janine Splettstoesser , Maciej Misiorny

We report first principles analysis of electron-phonon coupling in molecular devices under external bias voltage and during current flow. Our theory and computational framework are based carrying out density functional theory within the…

Materials Science · Physics 2009-11-11 N. Sergueev , D. Roubtsov , Hong Guo

Current-voltage characteristics of a single-electron transistor with a vibrating quantum dot were calculated assuming vibrons to be in a coherent (non-equilibrium) state. For a large amplitude of quantum dot oscillations we predict strong…

Mesoscale and Nanoscale Physics · Physics 2021-12-01 O. M. Bahrova , S. I. Kulinich , I. V. Krive

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

Vibrational modes of molecules are fundamental properties determined by intramolecular bonding, atomic masses, and molecular geometry, and often serve as important channels for dissipation in nanoscale processes. Although single-molecule…

Mesoscale and Nanoscale Physics · Physics 2014-03-06 Y. Li , P. Doak , L. Kronik , J. B. Neaton , D. Natelson

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

Motivated by a recent experiment on nonlinear tunneling in a suspended Carbon nanotube connected to two normal electrodes [S. Sapmaz, {\it et al}., Phys. Rev. Lett. {\bf 96}, 26801 (2006)], we investigate nonequilibrium vibration-mediated…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 X. Y. Shen , Bing Dong , X. L. Lei , N. J. M. Horing

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…

Mesoscale and Nanoscale Physics · Physics 2022-06-10 Christoph Kaspar , André Erpenbeck , Jakob Bätge , Christian Schinabeck , Michael Thoss

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

It is demonstrated that non-equilibrium vibrational effects are enhanced in molecular devices for which the effective potential for vibrations is sensitive to the charge state of the device. We calculate the electron tunneling current…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Maarten R. Wegewijs , Katja C. Nowack

Recent progress in the field of molecular electronics has revealed the fundamental importance of the coupling between the electronic degrees of freedom and specific vibrational modes. Considering the examples of a molecular dimer and a…

Mesoscale and Nanoscale Physics · Physics 2017-02-22 Jakub K. Sowa , Jan A. Mol , G. Andrew D. Briggs , Erik M. Gauger

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

We discuss the electronic transport through molecules in the Kondo regime. We concentrate here on the influence of molecular vibrations. Two types of vibrations are investigated: (i) the breathing internal molecular modes, where the…

Mesoscale and Nanoscale Physics · Physics 2009-12-21 J. Mravlje , A. Ramsak

In bulk systems, molecules are routinely identified by their vibrational spectrum using Raman or infrared spectroscopy. In recent years, vibrational excitation lines have been observed in low-temperature conductance measurements on single…

Mesoscale and Nanoscale Physics · Physics 2010-02-25 Johannes S. Seldenthuis , Herre S. J. van der Zant , Mark A. Ratner , Joseph M. Thijssen

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

We study a scheme for electrical detection, using electron spin resonance, of coherent vibrations in a molecular single electron level trapped near a conduction channel. Both equilibrium spin-currents and non-equilibrium spin- and charge…

Mesoscale and Nanoscale Physics · Physics 2008-09-17 J. Fransson , Jian-Xin Zhu

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…

Mesoscale and Nanoscale Physics · Physics 2015-03-18 R. Härtle , M. Thoss