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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 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

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 combined treatment of the non-equilibrium dynamics and transport of electrons and phonons by carrying out \textit{ab initio} calculations of the fully coupled electron and phonon Boltzmann transport equations. We find that the…

Materials Science · Physics 2020-12-30 Nakib H. Protik , Boris Kozinsky

Two-dimensional (2D) materials have shown great potential in applications as transistors, where thermal dissipation becomes crucial because of the increasing energy density. Although thermal conductivity of 2D materials has been extensively…

Materials Science · Physics 2024-05-06 Yujie Quan , Bolin Liao

In the present work, we theoretically analyze the steady-state thermoelectric transport through a single-molecule junction with a vibrating bridge. Thermally induced charge current in the system is explored using a nonequilibrium Green's…

Mesoscale and Nanoscale Physics · Physics 2016-06-21 Natalya A. Zimbovskaya

We present consistent results for molecular conduction using two central-complementary approaches: the non-equilibrium Green's function technique and the quantum master equation method. Our model describes electronic conduction in a…

Mesoscale and Nanoscale Physics · Physics 2016-04-13 Bijay Kumar Agarwalla , Dvira Segal

We employ the functional renormalization group to study the effects of phonon-assisted tunneling on the nonequilibrium steady-state transport through a single level molecular quantum dot coupled to electronic leads. Within the framework of…

Strongly Correlated Electrons · Physics 2018-12-18 A. Khedri , T. A. Costi , V. Meden

We theoretically study the electrical, thermal and thermoelectric transport properties of graphene nanoribbons under torsional deformations. The modelling follows a nonequilibrium Green's function approach in the ballistic transport regime,…

Mesoscale and Nanoscale Physics · Physics 2017-06-07 Aleandro Antidormi , Miquel Royo , Riccardo Rurali

We consider heat transport across a harmonic chain of charged particles, with transverse degrees of freedom, in the presence of a uniform magnetic field. For an open chain connected to heat baths at the two ends we obtain the nonequilibrium…

Statistical Mechanics · Physics 2021-12-22 Junaid Bhat , Gaëtan Cane , Cédric Bernardin , Abhishek Dhar

The frictional drag force between separated but coupled two-dimensional electron gases of different temperatures is studied using the non-equilibrium Green function method based on the separation of center-of-mass and relative dynamics of…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 X. F. Wang , I. C. da Cunha Lima

Nonequilibrium multi-carrier thermal transport is essential for both scientific research and technological applications in electronic, spintronic, and energy conversion devices. This article reviews the fundamentals of phonon, electron,…

Materials Science · Physics 2025-02-18 Te-Huan Liu , Tianyu Wang , Jun Zhou , Xin Qian , Ronggui Yang

We carry out a calculation of the phonon-drag contribution $S_g$ to the thermoelectric power of bulk semiconductors and quantum well structures for the first time using the balance equation transport theory extended to the weakly nonuniform…

Condensed Matter · Physics 2009-10-28 M. W. Wu , N. J. M. Horing , H. L. Cui

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

The topic of this review is the effects of electron-phonon interaction (EPI) on the transport properties of molecular nano-conductors. A nano-conductor connects to two electron leads and two phonon leads, possibly at different temperatures…

Mesoscale and Nanoscale Physics · Physics 2015-04-07 Jing-Tao Lü , Hangbo Zhou , Jin-Wu Jiang , Jian-Sheng Wang

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

Thermoelectric properties of a two-level molecule attached to the metallic electrodes are analyzed using the equation of motion technique within the Green function formalism. Results show that the electrical conductance is strongly…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 M. Bagheri Tagani , H. Rahimpour Soleimani

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

With the rapidly increasing integration density and power density in nanoscale electronic devices, the thermal management concerning heat generation and energy harvesting becomes quite crucial. Since phonon is the major heat carrier in…

Mesoscale and Nanoscale Physics · Physics 2021-03-01 Zhizhou Yu , Guohuan Xiong , Lifa Zhang

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
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