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Employing the nonequilibrium Green's function method, we develop a fully quantum mechanical model to study the coupled electron-phonon transport in one-dimensional atomic junctions in the presence of a weak electron-phonon interaction. This…

Mesoscale and Nanoscale Physics · Physics 2008-03-04 J. T. Lü , Jian-Sheng Wang

We formulate a semiclassical theory for electron transport in open quantum systems with electron-phonon interactions adequate for situations when the system's phonon dynamics is comparable with the electron transport timescale. Starting…

Mesoscale and Nanoscale Physics · Physics 2025-08-26 Maicol A. Ochoa

Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the non-equilibrium Green's function method. The accuracy is demonstrated with a first principles calculation on…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Magnus Paulsson , Thomas Frederiksen , Mads Brandbyge

Within a phonon-assisted resonance level model we develop a self-consistent procedure for calculating electron transport currents in molecular junctions with intermediate to strong electron-phonon interaction. The scheme takes into account…

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

We study the statistical properties of charge and energy transport in electron conducting junctions with electron-phonon interactions, specifically, the thermoelectric efficiency and its fluctuations. The system comprises donor and acceptor…

Statistical Mechanics · Physics 2016-01-20 Bijay Kumar Agarwalla , Jian-Hua Jiang , Dvira Segal

We study the electronic transport in a molecular junction in which each site is coupled to a local phonon bath using the non-equilibrium Green's function method. We observe the length period of the oscillatory conductance in odd-numbered…

Strongly Correlated Electrons · Physics 2011-08-12 Ya-Lin Lo , Shih-Jye Sun , Ying-Jer Kao

We study thermoelectric transport through a coherent molecular conductor connected to two electron and two phonon baths using the nonequilibrium Green's function method. We focus on the mutual drag between electron and phonon transport as a…

Mesoscale and Nanoscale Physics · Physics 2016-05-11 Jing-Tao Lü , Jian-Sheng Wang , Per Hedegård , Mads Brandbyge

In this paper, we investigate the quantum transport of a double quantum dot coupled with a nanomechanical resonator at arbitrary strong electron-phonon coupling regimes. We employ the generalized quantum master equation to study full…

Mesoscale and Nanoscale Physics · Physics 2012-04-22 Chen Wang , Jie Ren , Baowen Li , Qing-Hu Chen

We consider resonant transport through a molecular quantum dot coupled to a local vibration mode. Applying the non-equilibrium Green function technique in the polaron representation, we develop a non-perturbative scheme to calculate the…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Alex Zazunov , Thierry Martin

We investigate the effects of alternating voltage on nonequilibrium quantum systems with localised phonon modes. Nonequilibrium Green's functions are utilised, with electron-phonon coupling being considered with the $GD$ approximation…

Mesoscale and Nanoscale Physics · Physics 2023-01-25 Thomas D. Honeychurch , Daniel S. Kosov

Within the framework of nonequilibrium Green's functions, we investigate the thermoelectric transport in a single molecular junction with electron-phonon and electron-electron interactions. By transforming into a displaced phonon basis, we…

Mesoscale and Nanoscale Physics · Physics 2012-04-26 Jie Ren , Jian-Xin Zhu , James E. Gubernatis , Chen Wang , Baowen Li

We present a formulation of a nonequilibrium Green's function method for thermal current in nanojunction atomic systems with nonlinear interactions. This first-principle approach is applied to the calculation of the thermal conductance in…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Jian-Sheng Wang , Jian Wang , Nan Zeng

Based on exactly mapping of a many-body electron-phonon interaction problem onto a one-body problem, we apply the well-established nonequilibrium Green function technique to solve the time-dependent phonon-assisted tunneling at low…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Bing Dong , H. L. Cui , X. L. Lei

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 study the heat transport due to phonons in nanomechanical structures using a phase space representation of non-equilibrium Green's functions. This representation accounts for the atomic degrees of freedom making it particularly suited…

Mesoscale and Nanoscale Physics · Physics 2017-10-10 Marcone I. Sena-Junior , Leandro R. F. Lima , Caio H. Lewenkopf

Phonon-phonon interaction is systematically studied by nonequilibrium Green's function (NEGF) formulism in momentum space at finite temperatures. Within the quasi-particle approximation, phonon frequency shift and lifetime are obtained from…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Yong Xu , Jian-Sheng Wang , Wenhui Duan , Bing-Lin Gu , Baowen Li

This review deals with the nonequilibrium Green's function (NEGF) method applied to the problems of energy transport due to atomic vibrations (phonons), primarily for small junction systems. We present a pedagogical introduction to the…

Mesoscale and Nanoscale Physics · Physics 2013-05-28 Jian-Sheng Wang , Bijay Kumar Agarwalla , Huanan Li , Juzar Thingna

We present a combined theoretical approach to study the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes and exhibiting strong electron-phonon interactions. We use the Keldysh Green function formalism…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 R. C. Monreal , F. Flores , A. Martin-Rodero

The role of multimode vibrational dynamics in electron transport through single molecule junctions is investigated. The study is based on a generic model, which describes charge transport through a single molecule that is attached to metal…

Mesoscale and Nanoscale Physics · Physics 2010-10-26 R. Härtle , C. Benesch , M. Thoss

Based on generalized quantum Langevin equations for the tight-binding wave function amplitudes and lattice displacements, electron and phonon quantum transport are obtained exactly using molecular dynamics (MD) in the ballistic regime. The…

Mesoscale and Nanoscale Physics · Physics 2009-01-02 J. T. Lu , Jian-Sheng Wang
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