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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

As a step towards a more realistic modeling of vibrations in single-molecule devices, we investigate the effects of charge-dependent vibrational frequencies and anharmonic potentials on electronic transport. For weak phonon relaxation, we…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Jens Koch , Felix von Oppen

We provide analytical results for the perturbative correction to the current-voltage relation through a vibrating molecule for weak electron-phonon coupling. The nonlinear conductance exhibits a step-like feature at $eV=\hbar \omega_0$,…

Mesoscale and Nanoscale Physics · Physics 2008-03-14 R. Egger , A. O. Gogolin

We analyze the effect of electron-phonon coupling on the full counting statistics of a molecular junction beyond the lowest order perturbation theory. Our approach allows to take into account analytically the feedback between the…

Mesoscale and Nanoscale Physics · Physics 2010-10-14 D. F. Urban , R. Avriller , A. Levy Yeyati

We study the influence of a linear energy bias on a non-equilibrium excitation on a chain of molecules coupled to local phonons (a tilted Holstein model) using both a random-walk rate kernel theory and a nonperturbative, massively…

Quantum Physics · Physics 2022-07-29 R. Kevin Kessing , Pei-Yun Yang , Salvatore R. Manmana , Jianshu Cao

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

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

The calculation of the nonlinear conductance of a single-molecule junction is revisited. The self energy on the junction resulting from the electron-phonon interaction has at low temperatures logarithmic singularities (in the real part) and…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 O. Entin-Wohlman , Y. Imry , A. Aharony

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

We consider the nonequilibrium quantum vibrations of a molecule clamped between two macroscopic leads in a current-carrying state at finite voltages. Our approach is based on the nonequilibrium Green function technique and the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 D. A. Ryndyk , M. Hartung , G. Cuniberti

The effect of electron-phonon coupling on the current noise in a molecular junction is investigated within a simple model. The model comprises a 1-level bridge representing a molecular level that connects between two free electron…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Michael Galperin , Abraham Nitzan , Mark A. Ratner

Quantum transport through single molecules is essentially affected by molecular vibrations. We investigate the behavior of the prototype single-level model with intermediate electron-vibron coupling and arbitrary coupling to the leads. We…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Dmitry A. Ryndyk , Gianaurelio Cuniberti

We discuss the role of electron-electron and electron-phonon correlations in current flow in the Coulomb Blockade regime, focusing specifically on nontrivial signatures arising from the break-down of mean-field theory. By solving transport…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 B. Muralidharan , L. Siddiqui , A. W. Ghosh

The non-equilibrium dynamics of matter excited by light may produce electronic phases that do not exist in equilibrium, such as laser-induced high-transition-temperature superconductivity. Here we simulate the dynamics of a metal driven at…

Strongly Correlated Electrons · Physics 2022-12-05 John Sous , Benedikt Kloss , Dante M. Kennes , David R. Reichman , Andrew J. Millis

We investigate models of molecular junctions which constitute minimal Hamiltonians to account for zero-bias-anomaly and the satellite features of inelastic transport by molecular phonons. Through nonlinear transport calculations with the…

Strongly Correlated Electrons · Physics 2015-05-13 J. E. Han

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

We investigate electronic distributions in nonequilibrium tunnel junctions subject to a high voltage bias $V$ under competing electron-electron and electron-phonon relaxation processes. We derive conditions for reaching quasi-equilibrium…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 N. B. Kopnin , Y. M. Galperin , J. Bergli , V. M. Vinokur

We show that in the presence of ferromagnetic electronic reservoirs and spin-dependent tunnel couplings, molecular vibrations in nonmagnetic single molecular transistors induce an effective intramolecular exchange magnetic field. It…

Mesoscale and Nanoscale Physics · Physics 2015-07-29 S. Weiss , J. Brüggemann , M. Thorwart

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

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
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