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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

Electronic-vibrational coupling in single-molecule junctions may result in current-induced bond rupture and is thus an important mechanism for the stability of molecular junctions. We use the hierarchical quantum master equation (HQME)…

Mesoscale and Nanoscale Physics · Physics 2018-08-01 Andre Erpenbeck , Christian Schinabeck , Uri Peskin , 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…

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

Understanding current-induced bond rupture in single-molecule junctions is both of fundamental interest and a prerequisite for the design of molecular junctions, which are stable at higher bias voltages. In this work, we use a fully quantum…

Mesoscale and Nanoscale Physics · Physics 2021-06-30 Yaling Ke , André Erpenbeck , Uri Peskin , Michael 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…

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

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

Current-induced bond rupture is a fundamental process in nanoelectronic architectures such as molecular junctions and in scanning tunneling microscopy measurements of molecules at surfaces. The understanding of the underlying mechanisms is…

Mesoscale and Nanoscale Physics · Physics 2023-07-26 Yaling Ke , Jan Dvořák , Martin Čížek , Raffaele Borrelli , Michael Thoss

We report on inelastic electron tunneling spectroscopy measurements carried out on single molecules incorporated into a mechanically controllable break-junction of Au and Pt electrodes at low temperature. Here we establish a correlation…

Mesoscale and Nanoscale Physics · Physics 2010-11-16 Youngsang Kim , Hyunwook Song , Florian Strigl , Hans-Fridtjof Pernau , Takhee Lee , Elke Scheer

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 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

It is often intriguing experimentally to take stock of how conformational changes in the device configuration may impact the overall charge transport behavior of single-molecule junctions. Based on the allied approach of density functional…

Mesoscale and Nanoscale Physics · Physics 2020-02-06 Talem Rebeda Roy , Arijit Sen

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

The current-induced vibrational dynamics is a key factor determining the stability of molecular nanojunctions. Beyond conventional Joule heating, a different mechanism caused by nonconservative current-induced forces has been predicted for…

Mesoscale and Nanoscale Physics · Physics 2026-02-20 Martin Mäck , Michael Thoss , Samuel L. Rudge

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 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

The stability of molecular junctions under transport is of the utmost importance for the field of molecular electronics. This question is often addressed within the paradigm of current-induced heating of nuclear degrees of freedom or…

Mesoscale and Nanoscale Physics · Physics 2022-12-26 André Erpenbeck , Yaling Ke , Uri Peskin , Michael Thoss

We investigate the transient nonequilibrium dynamics of a molecular junction biased by a finite voltage and strongly coupled to internal vibrational degrees of freedom. Using two different, numerical exact techniques, diagrammatic Monte…

Mesoscale and Nanoscale Physics · Physics 2012-10-05 Klaus Ferdinand Albrecht , Haobin Wang , Lothar Muehlbacher , Michael Thoss , Andreas Komnik

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 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…

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