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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 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

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 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

Electron transport through a double quantum dot system is studied with taking into account electron-phonon interaction. The Keldysh nonequilibrium Green function formalism is used to compute the current and transmission coefficient of the…

Mesoscale and Nanoscale Physics · Physics 2012-04-11 M. Bagheri Tagani , H. Rahimpour Soleimani

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

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

Electron transport in periodic quantum dot arrays in the presence of interactions with phonons was investigated using the formalism of nonequilibrium Green's functions. The self-consistent Born approximation was used to model the…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Nenad Vukmirović , Zoran Ikonić , Dragan Indjin , Paul Harrison

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

The energy dissipation and heat flows associated with the particle current in a system with a molecular junction are considered. In this connection, we determine the effective temperature of the molecular oscillator that is compatible with…

Mesoscale and Nanoscale Physics · Physics 2018-03-20 Jan Loos , Thomas Koch , Holger Fehske

We study ballistic interfacial thermal transport across atomic junctions. Exact expressions for phonon transmission coefficients are derived for thermal transport in one-junction and two-junction chains, and verified by numerical…

Materials Science · Physics 2011-03-02 Lifa Zhang , Pawel Keblinski , Jian-Sheng 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

Electronic and thermal transport properties in two-dimensional (2D) semiconductors have been extensively investigated due to their potential to miniaturize transistors. Microscopically, electron-phonon interactions are considered the…

Mesoscale and Nanoscale Physics · Physics 2024-11-25 Yujie Quan , Bolin Liao

We study phonon transport in junctions of two harmonic reservoirs coupled together by a spring. The exact steady-state heat currents and thermal conductance are calculated using nonequilibrium Green's functions. We find that the heat…

Statistical Mechanics · Physics 2026-04-13 Eduardo C. Cuansing , Juan Rafael K. Bautista

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

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

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

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

At low temperatures when the phonon modes are effectively frozen, photon transport is the dominating mechanism of thermal relaxation in metallic systems. Starting from a microscopic many-body Hamiltonian, we develop a nonequilibrium Green's…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Teemu Ojanen , Tero T. Heikkila

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
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