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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

Theory of current hysteresis for tunneling through a molecular quantum dot (MQD) with strong electron-vibron interactions and attractive electron-electron correlations is developed. The dot is modeled as a d-fold degenerate energy level…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 A. S. Alexandrov , A. M. Bratkovsky

(Dated: July 17, 2017) We calculate the electric charge current flowing through a vibrating molecular nanojunction, which is driven by an ac voltage, in its regime of nonlinear oscillations. Without loss of generality, we model the junction…

Mesoscale and Nanoscale Physics · Physics 2018-06-14 Vicente Leyton , Stephan Weiss , Michael Thorwart

We investigate transport properties of molecular junctions under two types of bias--a short time pulse or an AC bias--by combining a solution for the Green functions in the time domain with electronic structure information coming from ab…

Mesoscale and Nanoscale Physics · Physics 2010-06-18 San-Huang Ke , Rui Liu , Weitao Yang , Harold U. Baranger

We study current-induced vibrational cooling, heating, and instability in a donor-acceptor rectifying molecular junction using a full counting statistics approach. In our model, electron-hole pair excitations are coupled to a given…

Mesoscale and Nanoscale Physics · Physics 2017-08-23 L. Simine , D. Segal

We present a microscopic model, describing current-driven switching in metallic atomic-size contacts. Applying a high current through an atomic-size contact, creates a strong electronic nonequilibrium that excites vibrational modes by…

Mesoscale and Nanoscale Physics · Physics 2024-05-03 Markus Ring , Fabian Pauly , Peter Nielaba , Elke Scheer

Molecular-scale components are expected to be central to nanoscale electronic devices. While molecular-scale switching has been reported in atomic quantum point contacts, single-molecule junctions provide the additional flexibility of…

Consider a quantum dot coupled to two semi-infinite one-dimensional leads at thermal equilibrium. We turn on adiabatically a bias between the leads such that there exists exactly one discrete eigenvalue both at the beginning and at the end…

Mathematical Physics · Physics 2015-07-23 Horia D. Cornean , Arne Jensen , Gheorghe Nenciu

We develop a classical mapping approach suitable to describe vibrationally coupled charge transport in molecular junctions based on the Cartesian mapping for many-electron systems [J. Chem. Phys. 137, 154107 (2012)]. To properly describe…

Strongly Correlated Electrons · Physics 2015-06-18 Bin Li , Eli. Y. Wilner , Michael Thoss , Eran Rabani , William H. Miller

The influence of an electron-vibrational coupling on the laser control of electron transport through a molecular wire that is attached to several electronic leads is investigated. These molecular vibrational modes induce an effective…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Jörg Lehmann , Sigmund Kohler , Volkhard May , Peter Hänggi

The realization of molecular-based electronic devices depends to a large extent on the ability to mechanically stabilize the involved molecular bonds, while making use of efficient resonant charge transport through the device. Resonant…

Mesoscale and Nanoscale Physics · Physics 2018-09-11 David Gelbwaser-Klimovsky , Alán Aspuru-Guzik , Michael Thoss , Uri Peskin

We present a detailed study of the conduction properties of a molecular wire where hopping processes between electronic sites are coupled to a vibrational mode of the molecule. The latter is sandwiched between two electronic leads at finite…

Mesoscale and Nanoscale Physics · Physics 2017-05-24 Simon Pigeon , Lorenzo Fusco , Gabriele De Chiara , Mauro Paternostro

Understanding and controlling phase transitions is a fundamental part of physics and has been central to many technological revolutions, from steam engines to field-effect transistors. At present, there is strong interest in materials with…

Mesoscale and Nanoscale Physics · Physics 2026-02-13 Nicolò D'Anna , Nareg Ghazikhanian , Katherine Matthews , Daseul Ham , Su Yong Lee , Alex Frano , Ivan K. Schuller , Oleg Shpyrko

Here we present theoretical studies of the effect of vibronic coupling on nonlinear transport characteristics (current-voltage and conductance-voltage) in molecular electronic devices. Considered device is composed of molecular quantum dot…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Kamil Walczak

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…

Mesoscale and Nanoscale Physics · Physics 2010-03-16 L. K. Dash , H. Ness , R. W. Godby

We calculate the effect of electron-vibration coupling on conduction through atomic gold wires, which was measured in the experiments of Agra\"it et al. [Phys. Rev. Lett. 88, 216803 (2002)]. The vibrational modes, the coupling constants,…

Mesoscale and Nanoscale Physics · Physics 2009-05-24 J. K. Viljas , J. C. Cuevas , F. Pauly , M. Häfner

We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…

Mesoscale and Nanoscale Physics · Physics 2008-12-18 Fabio Pistolesi , Yaroslav M. Blanter , Ivar Martin

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…

The effect of molecular vibrations on electronic transport is investigated with the smallest fullerene C20 bridge, utilizing the Keldysh nonequilibrium Green's function techniques combined with the tight-binding molecular-dynamics method.…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Takahiro Yamamoto , Kazuyuki Watanabe , Satoshi Watanabe

The recent discovery that electrons in nano-scale conductors can act like a highly viscous liquid has triggered a surge of research activities investigating consequences of this surprising fact. Here we demonstrate that the electronic…

Mesoscale and Nanoscale Physics · Physics 2026-03-23 Vladimir U. Nazarov , Tchavdar N. Todorov , E. K. U. Gross