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We show that in non-collinear magnetic molecules, non-adiabatic (dynamical) effects due to the electron-vibron coupling are time-reversal symmetry breaking interactions for the vibrational field. As in these systems the electronic…

Chemical Physics · Physics 2021-06-16 Oliviero Bistoni , Francesco Mauri , Matteo Calandra

We investigate the steady-state electronic transport through a suspended dimer molecule coupled to leads. When strongly coupled to a vibrational mode, the electron transport is enhanced at the phonon resonant frequency and higher-order…

Mesoscale and Nanoscale Physics · Physics 2013-02-18 D. H. Santamore , Neill Lambert , Franco Nori

Vibrational dynamics governs the fundamental properties of molecular crystals, shaping their thermodynamics, mechanics, spectroscopy, and transport phenomena. However desirable, the first-principles calculation of solid-state vibrations,…

Materials Science · Physics 2025-03-25 Lorenzo Soprani , Andrea Giunchi , Marco Bardini , Quintin N. Meier , Gabriele D'Avino

Point contact spectroscopy on a H2O molecule bridging Pt electrodes reveals a clear crossover between enhancement and reduction of the conductance due to electron-vibration interaction. As single channel models predict such a crossover at…

Mesoscale and Nanoscale Physics · Physics 2008-05-23 O. Tal , M. Krieger , B. Leerink , J. M. van Ruitenbeek

A variation of the valence electron wave function inside a nucleus induced by a perturbative potential is expressed in terms of the potential momenta. As an application we consider QED vacuum polarization corrections due to the Uehling and…

High Energy Physics - Phenomenology · Physics 2009-11-07 M. Yu. Kuchiev , V. V. Flambaum

Molecular vibrations play a key role in magnetic relaxation processes of molecular spin qubits as they couple to spin states, leading to the loss of quantum information. Direct experimental determination of vibronic coupling is crucial to…

Understanding the effect of vibrations in optically active nano systems is crucial for successfully implementing applications in molecular-based electro-optical devices, quantum information communications, single photon sources, and…

Molecular spintronics is made possible by the coupling between electronic configuration and magnetic po- larization of the molecules. For control and application of the individual molecular states it is necessary to both read and write…

Mesoscale and Nanoscale Physics · Physics 2016-04-27 T. Saygun , J. Bylin , H. Hammar , J. Fransson

We consider the formation and stability of the vibronic polaron arising in a degenerate or nearly degenerate electronic system coupled to an appropriate vibrational mode. We define the electron-phonon coupling as a mixing of the electronic…

Materials Science · Physics 2007-05-23 Mladen Georgiev

The influence of the interference of electron waves, which are scattered by single impurities and by a barrier on nonlinear conductance and shot noise of metallic microconstriction is studied theoretically. It is shown that the these…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Ye. S. Avotina , A. Namiranian , Yu. A. Kolesnichenko

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 propose a model for a molecular junction with internal anharmonic torsional vibrations interacting with an electric current. The Wangsness-Bloch-Redfield master equation approach is used to determine the stationary reduced density matrix…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 Ivan A. Pshenichnyuk , Martin Čížek

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

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

Electronic conductance through a single molecule is sensitive towards its structural orientation between two electrodes, owing to the distribution of molecular orbitals and their coupling to the electrode levels, that are governed by…

Mesoscale and Nanoscale Physics · Physics 2023-08-11 Koushik R. Das , Sudipta Dutta

We calculate the nonequilibrium conductance through a molecule or a quantum dot in which the occupation of the relevant electronic level is coupled with intensity $\lambda$ to a phonon mode, and also to two conducting leads. The system is…

Strongly Correlated Electrons · Physics 2015-06-15 P. Roura-Bas , L. Tosi , A. A. Aligia

By using nonequilibrium Green's functions and the equation of motion method, we formulate a self-consistent field theory for the electron transport through a single molecular junction (SMJ) coupled with a vibrational mode. We show that the…

Mesoscale and Nanoscale Physics · Physics 2015-09-28 Guo-Hui Ding , Bing Dong

We propose a novel approach to calculate dynamical processes at ultrafast time scale in molecules in which vibrational and electronic motions are strongly mixed. The relevant electronic orbitals and their interactions are described by a…

Strongly Correlated Electrons · Physics 2009-11-07 L. Arrachea , A. A. Aligia , G. E. Santoro

We study the electronic transport through a spin-1 molecule in which mechanical stretching produces a magnetic anisotropy. In this type of device, a vibron mode along the stretching axis will couple naturally to the molecular spin. We…

Strongly Correlated Electrons · Physics 2012-07-31 David A. Ruiz-Tijerina , Pablo S. Cornaglia , C. A. Balseiro , Sergio E. Ulloa

By investigating thoroughly the tunable behavior of coupled modes, we highlight how it provides new means to handle the properties of spin transfer nano-oscillators. We first demonstrate that the main features of the microwave signal…