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We present a detailed treatment of the nonequilibrium Green's function method for thermal transport due to atomic vibrations in nanostructures. Some of the key equations, such as self-energy and conductance with nonlinear effect, are…

Statistical Mechanics · Physics 2011-11-09 Jian-Sheng Wang , Nan Zeng , Jian Wang , Chee Kwan Gan

This paper discusses the topological and transport properties of binary heterostructures of different topological materials. The creation of multilayer devices is an alternative to building synthetic topological materials. By adjusting the…

Mesoscale and Nanoscale Physics · Physics 2023-06-16 R. Pineda , W. Herrera

We consider the out-of-equilibrium behavior of a general class of mesoscopic devices composed of several superconducting or/and normal metal leads separated by quantum dots. Starting from a microscopic Hamiltonian description, we provide a…

Superconductivity · Physics 2020-09-02 R. Jacquet , A. Popoff , K. -I. Imura , J. Rech , T. Jonckheere , L. Raymond , A. Zazunov , T. Martin

Three-dimensional (3D) metals/semimetals under magnetic field have an instability toward a density wave (DW) ordering which breaks a translational symmetry along the field direction. Effective boson models for the DW phases take forms of XY…

Strongly Correlated Electrons · Physics 2017-05-10 Xiao-Tian Zhang , Ryuichi Shindou

We explore electron transport properties in molecular wires made of heterocyclic molecules (pyrrole, furan and thiophene) by using the Green's function technique. Parametric calculations are given based on the tight-binding model to…

Mesoscale and Nanoscale Physics · Physics 2009-09-13 Santanu K. Maiti , S. N. Karmakar

Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a carbon nanowire which is connected to ferromagnetic electrodes. The molecule itself is…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Kamil Walczak , Gloria Platero

Stationary electric transport in semiconductor nanostructures is studied by the method of nonequilibrium Green functions. In the case of sequential tunneling the results are compared with density matrix theory, providing almost identical…

Mesoscale and Nanoscale Physics · Physics 2008-09-12 Andreas Wacker

We explore the charge transport mechanism in organic semiconductors based on a model that accounts for the thermal intermolecular disorder at work in pure crystalline compounds, as well as extrinsic sources of disorder that are present in…

Materials Science · Physics 2012-12-10 S. Ciuchi , S. Fratini

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 consider the problem of heat transport by vibrational modes (conduction) between Langevin thermostats connected by a central device. The latter is anharmonic and can be subject to large temperature differences and thus be out of…

Materials Science · Physics 2021-12-15 Keivan Esfarjani

We present a comprehensive investigation of semi-classical transport properties of n-type ternary compound AlGaAs2, using Rode's iterative method. Four scattering mechanisms, have been included in our transport calculation, namely, ionized…

This paper presents a classical thermodynamic calculation of a Greens function that describes the declining rate of entropy growth as protons move under an applied electric field, through an amorphous SiO$_2$ layer in a MOS field-effect…

Computational Physics · Physics 2020-03-03 Randall T. Swimm

Inelastic effects in electron transport through nano-sized devices are addressed with a method based on nonequilibrium Green's functions (NEGF) and perturbation theory to infinite order in the electron-vibration coupling. We discuss the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Thomas Frederiksen , Mads Brandbyge , Nicolas Lorente , Antti-Pekka Jauho

The electronic transport properties and switching mechanism of single photochromic diarylethene derivatives sandwiched between two gold surfaces with closed and open configurations are investigated by a fully self-consistent nonequilibrium…

Other Condensed Matter · Physics 2009-11-13 Jing Huang , Qunxiang Li , Hao Ren , Haibin Su , Q. W. Shi , Jinlong Yang

Physical parameters characterising electrokinetic transport in a confined electrolyte solution are reconstructed from the generic transport coefficients obtained within the classical non-equilibrium statistical thermodynamic framework. The…

Soft Condensed Matter · Physics 2014-11-18 Hiroaki Yoshida , Hideyuki Mizuno , Tomoyuki Kinjo , Hitoshi Washizu , Jean-Louis Barrat

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

The $f^{-\gamma}$ sloped current noise power spectra, observed in organic semiconductors, have been interpreted within a {\em variable range hopping} mechanism of the fluctuations. The relative current noise power spectral density ${\cal…

Disordered Systems and Neural Networks · Physics 2009-03-20 A. Carbone , B. K. Kotowska , D. Kotowski

We study charge and energy transfer in two-site molecular electronic junctions in which electron transport is assisted by a vibrational mode. To understand the role of mode harmonicity/anharmonicity on transport behavior, we consider two…

Mesoscale and Nanoscale Physics · Physics 2015-09-01 Bijay Kumar Agarwalla , Jian-Hua Jiang , Dvira Segal

We have investigated the charge carrier transport in organic molecular semiconductors. It has been found that mobility is a function of electric field and temperature due to hopping conduction. Several theoretical models for charge…

Materials Science · Physics 2007-05-23 Ajit Kumar Mahapatro , Subhasis Ghosh

We investigate the spin transport properties of molecules belonging to the acenes series by using density functional theory combined with the non-equilibrium Green's function approach to electronic transport. While short acenes are found to…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 R. Pilevarshahri , I. Rungger , T. Archer , S. Sanvito , N. Shahtahmasebi
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