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We present a coupled continuum formulation for the electrostatic, chemical, thermal and mechanical processes in battery materials. Our treatment applies on the macroscopic scale, at which electrodes can be modelled as porous materials made…

Chemical Physics · Physics 2017-07-25 Zhenlin Wang , Jason B. Siegel , Krishna Garikipati

We demonstrate how the zitterbewegung charge oscillations can be detected through a charge conductance measurement in a three-terminal junction. By tuning the spin-orbit interaction strength or an external magnetic field the zitterbewegung…

Mesoscale and Nanoscale Physics · Physics 2009-09-08 P. Brusheim , H. Q. Xu

Two models for energy and charge transport and storage in biomolecules are considered. A model based on the discrete nonlinear Schrodinger equation with long-range dispersive interactions (LRI's) between base pairs of DNA is offered for the…

The electronic structure of small Hubbard molecules coupled between two non-interacting semi-infinite leads is studied in the low bias-voltage limit. To calculate the finite-temperature Green's function of the system, each lead is simulated…

Strongly Correlated Electrons · Physics 2015-06-11 H. Ishida , A. Liebsch

The polaron model of H. Fr\"ohlich describes an electron coupled to the quantized longitudinal optical modes of a polar crystal. In the strong-coupling limit one expects that the phonon modes may be treated classically, which leads to a…

Mathematical Physics · Physics 2017-11-22 Marcel Griesemer

In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant…

Chemical Physics · Physics 2023-04-07 Róbert Izsák , Aleksei V Ivanov , Nick S. Blunt , Nicole Holzmann , Frank Neese

Using the fermion-spin transformation to implement spin-charge separation of constrained electrons, a model of two $t-J$ chains with interchain single-electron hopping is studied by abelian bosonization. After spin-charge decoupling the…

Condensed Matter · Physics 2009-10-22 G. M. Zhang , S. Feng , L. Yu

Green's function methods within many-body perturbation theory provide a general framework for treating electronic correlations in excited states. Here we investigate the cumulant form of the one-electron Green's function based on the…

Chemical Physics · Physics 2021-04-23 F. D. Vila , J. J. Rehr , J. J. Kas , K. Kowalski , B. Peng

Magnetic resonance methods offer a unique chance for in-depth study of conductive organic material systems, not only accounts for number of charge carriers, but also allows manipulations of spin dynamics of particles. Here we present a…

Applied Physics · Physics 2024-04-01 Zichen Wang , Ilia Kulikov , Tarig Mustafa , Jan Behrends , Henning Sirringhaus

We consider nonequilibrium transport in a simple chain of identical mechanical cells in which particles move around. In each cell, there is a rotating disc, with which these particles interact, and this is the only interaction in the model.…

Statistical Mechanics · Physics 2008-07-15 Jean-Pierre Eckmann , Carlos Mejia-Monasterio , Emmanuel Zabey

We consider transport through finite quantum systems such as quantum barriers, wells, dots or junctions, coupled to local vibrational modes in the quantal regime. As a generic model we study the Holstein-Hubbard Hamiltonian with…

Strongly Correlated Electrons · Physics 2009-11-13 H. Fehske , G. Wellein , J. Loos , A. R. Bishop

Due to the Coulomb blockade effect, electrons rarely bunch during transport, a phenomenon observed only in a few specially engineered mesoscopic configurations. In this work, we introduce an atomically resolved shot-noise study to…

Strongly Correlated Electrons · Physics 2025-11-18 A. Maiti , M. Amato , V. S. Stolyarov , H. Aubin , J. Estève , F. Pistolesi , M. Aprili , F. Massee

By using a propagation scheme for current matrices and an auxiliary mode expansion method, we investigate the transient dynamics of a single molecular junction coupled with a vibrational mode. Our approach is based on the Anderson-Holstein…

Mesoscale and Nanoscale Physics · Physics 2016-02-17 Guo-Hui Ding , Bo Xiong , Bing Dong

We develop a quantum model for the dynamics of carrier injection in a band that presents a strong carrier-vibration coupling. This coupling modifies the spectral density of the band and can even create pseudo-gaps that sign the onset of…

The thermoelectric properties of a molecular junction model, appropriate for large molecules such as fullerenes, are studied within a non-equilibrium adiabatic approach in the linear regime at room temperature. A self-consistent calculation…

Mesoscale and Nanoscale Physics · Physics 2014-09-26 C. A. Perroni , D. Ninno , V. Cataudella

We consider the steady-state thermoelectric transport through a vibrating molecular quantum dot that is contacted to macroscopic leads. For moderate electron-phonon interaction strength and comparable electronic and phononic timescales, we…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 T. Koch , J. Loos , H. Fehske

We analytically explore the dynamics of a charged active particle coupled to two thermal baths kept at two different temperatures in two dimensions. The particle is confined to an asymmetric harmonic potential and a magnetic field of…

Soft Condensed Matter · Physics 2024-11-07 M Muhsin , F Adersh , Mamata Sahoo

Polarizabilities reveal valuable information on the internal structure of hadrons in terms of charge and current distributions. For neutral hadrons, the standard approach is the background field method. But for a charged hadron, its…

High Energy Physics - Lattice · Physics 2023-08-02 Frank X. Lee , Andrei Alexandru , Chris Culver , Walter Wilcox

Here we study the effect of decoherence on elastic and polaronic transport via discrete quantum states. The calculations are performed with the help of nonperturbative computational scheme, based on the Green's function theory within the…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Kamil Walczak

The interplay of spin and charge degrees of freedom, introduced by doping mobile holes into a Mott insulator with strong anti-ferromagnetic (AFM) correlations, is at the heart of strongly correlated matter such as high-Tc cuprate…

Strongly Correlated Electrons · Physics 2019-06-26 Fabian Grusdt , Annabelle Bohrdt , Eugene Demler