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Vibrational heat transport in molecular junctions is a central issue in different contemporary research areas like Chemistry, material science, mechanical engineering, thermoelectrics and power generation. Our model system consists of a…

Statistical Mechanics · Physics 2025-07-04 Jayasmita Behera , Malay Bandyopadhyay

Understanding the current-induced vibrational dynamics in molecular nanojunctions is critical for gaining insight into the stability of such systems. While it is well known that Joule heating at higher bias voltages plays an important role…

Mesoscale and Nanoscale Physics · Physics 2025-03-26 Martin Mäck , Riley J. Preston , Michael Thoss , Samuel L. Rudge

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

While heating of a current carrying Ohmic conductors is an obvious consequence of the diffusive nature of the conduction in such systems, current induced cooling has been recently reported in some molecular conduction junctions. In this…

Mesoscale and Nanoscale Physics · Physics 2009-09-25 Michael Galperin , Keiji Saito , Alexander V. Balatsky , Abraham Nitzan

Understanding and controlling the flow of heat is a major challenge in nanoelectronics. When a junction is driven out of equilibrium by light or the flow of electric charge, the vibrational and electronic degrees of freedom are, in general,…

Mesoscale and Nanoscale Physics · Physics 2011-06-29 Daniel R. Ward , David A. Corley , James M. Tour , Douglas Natelson

The electrical conductance of molecular junctions may strongly depend on the temperature, and weakly on molecular length, under two distinct mechanisms: phase-coherent resonant conduction, with charges proceeding via delocalized molecular…

Mesoscale and Nanoscale Physics · Physics 2017-12-25 Hyehwang Kim , Dvira Segal

We demonstrate control over heat flow in an N-terminal molecular junction. Using simple model Hamiltonians we show that the heat current through two terminals can be tuned, switched, and amplified, by the temperature and coupling parameters…

Soft Condensed Matter · Physics 2009-11-13 Dvira Segal

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 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 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

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

We present an ab-initio method to simulate the current noise in the presence of electron-vibration interactions in atomic and molecular junctions at finite temperature. Using a combination of nonequilibrium Keldysh Green's function…

Mesoscale and Nanoscale Physics · Physics 2020-01-01 S. G. Bahoosh , M. A. Karimi , W. Belzig , E. Scheer , F. Pauly

Problems of heat transport are ubiquitous to various technologies such as power generation, cooling, electronics, and thermoelectrics. In this paper we advocate for the application of the quantum self-consistent reservoir method, which is…

Mesoscale and Nanoscale Physics · Physics 2019-01-30 Roya Moghaddasi Fereidani , Dvira Segal

In nanoscale junctions the interaction between charge carriers and the local vibrations results in renormalization, damping and heating of the vibrational modes. We here formulate a nonequilibrium Green's functions based theory to describe…

Mesoscale and Nanoscale Physics · Physics 2013-11-22 Kristen Kaasbjerg , Tomáš Novotný , Abraham Nitzan

The roles of the vibration motions played in the excitation energy transfer process are studied. It is found that a strong coherent transfer in the hybrid system emerges when the detuning between the donor and the acceptor equals the…

Biological Physics · Physics 2014-12-18 Xin Wang , Hao Chen , Hong-rong Li

Vibrationally inelastic electron transport through a molecular bridge that is connected to two leads is investigated. The study is based on a generic model of vibrational excitation in resonant transmission of electrons through a molecular…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Martin Cizek , Michael Thoss , Wolfgang Domcke

We develop a general theory for thermal transport in anharmonic systems under the weak system-bath coupling approximation similar to the quantum master equation formalism. A current operator is derived, which is valid not only in the steady…

Mesoscale and Nanoscale Physics · Physics 2012-05-28 Juzar Thingna , J. L. García-Palacios , Jian-Sheng Wang

We consider the electrical current through a magnetic point contact in the limit of a strong inelastic scattering of electrons. In this limit local Joule heating of the contact region plays a decisive role in determining the transport…

Materials Science · Physics 2009-11-11 A. Kadigrobov , S. I. Kulinich , R. I. Shekhter , M. Jonson , V. Korenivski

We study the full-counting statistics of charges transmitted through a single-level quantum dot weakly coupled to a local Einstein phonon which causes fluctuations in the dot energy. An analytic expression for the cumulant generating…

Mesoscale and Nanoscale Physics · Physics 2013-03-12 Y. Utsumi , O. Entin-Wohlman , A. Ueda , A. Aharony

Effects of a coupling between the mechanical vibrations of a quantum dot placed between the two leads of a single electron transistor and coherent tunneling of electrons through a single level in the dot has been studied. We have found that…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 D. Fedorets , L. Y. Gorelik , R. I. Shekhter , M. Jonson