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The present paper gives an elaborate theoretical description of a new molecular charge transport mechanism applying to a single molecule trapped between two macroscopic electrodes in a solid state device. It is shown by a Hubbard type model…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Per Hedegard , Thomas Bjornholm

In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiates from conventional methods in that the contact self-energy…

Materials Science · Physics 2021-01-01 Guido Gandus , Youseung Lee , Daniele Passerone , Mathieu Luisier

Disordered granular systems, at temperatures where charging effects are important, are studied, by means of an effective medium approximation. The intragrain charging energy leads to insulating behavior at low temperatures, with a well…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 D. P. Arovas , F. Guinea , C. Herrero , P. San Jose

We present a theory of Coulomb blockade oscillations in tunneling through a pair of quantum dots connected by a tunable tunneling junction. The positions and amplitudes of peaks in the linear conductance are directly related, respectively,…

Condensed Matter · Physics 2009-10-28 K. A. Matveev , L. I. Glazman , H. U. Baranger

Recent experiments demonstrate a temperature control of the electric conduction through a ferrocene-based molecular junction. Here we examine the results in view of determining means to distinguish between transport through single-particle…

Mesoscale and Nanoscale Physics · Physics 2018-02-23 Miguel A. Sierra , David Sánchez , Alvar R. Garrigues , Enrique del Barco , Lejia Wang , Christian A. Nijhuis

The realization of molecular-based electronic devices depends to a large extent on the ability to mechanically stabilize the involved molecular bonds, while making use of efficient resonant charge transport through the device. Resonant…

Mesoscale and Nanoscale Physics · Physics 2018-09-11 David Gelbwaser-Klimovsky , Alán Aspuru-Guzik , Michael Thoss , Uri Peskin

Electronic transport properties through some model quantum systems are re-visited. A simple tight-binding framework is given to describe the systems where all numerical calculations are made using the Green's function formalism. First, we…

Mesoscale and Nanoscale Physics · Physics 2015-03-19 Santanu K. Maiti

Within the Coulomb blockade regime, our study delves into the charge, spin, and thermoelectric transport characteristics in a benzene-based molecular nano-junction using the Pauli master equation and linear response theory. The charge- and…

Mesoscale and Nanoscale Physics · Physics 2024-01-17 Parbati Senapati , Prakash Parida

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

We consider electronic transport through a single-molecule junction where the molecule has a degenerate spectrum. Unlike previous transport models, and theories a rate-equations description is no longer possible, and the quantum coherences…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 Maximilian G. Schultz

Josephson junctions operated in the dynamical Coulomb blockade regime recently gained an significant amount of attention as central building block in concepts to demonstrate the non-Abelian character of Majorana fermions. Its physical…

Mesoscale and Nanoscale Physics · Physics 2017-12-21 Berthold Jäck , Jacob Senkpiel , Markus Etzkorn , Joachim Ankerhold , Christian R. Ast , Klaus Kern

Characterization and control of matter by optical means is at the forefront of research both due to fundamental insights and technological promise. Theoretical modeling of periodically driven systems is a prerequisite to understanding and…

Mesoscale and Nanoscale Physics · Physics 2020-03-06 Gabriel Cabra , Ignacio Franco , Michael Galperin

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 the equilibrium properties of a quantum dot connected to a bulk lead by a single-mode quantum point contact. The ground state energy and other thermodynamic characteristics of the grain show periodic dependence on the gate voltage…

Condensed Matter · Physics 2009-10-22 K. A. Matveev

In all theoretical treatments of electron transport through single molecules between two metal electrodes, a clear distinction has to be made between a coherent transport regime with a strong coupling throughout the junction and a Coulomb…

Mesoscale and Nanoscale Physics · Physics 2015-06-05 Robert Stadler , Jerome Cornil , Victor Geskin

Spin and charge transport through a quantum dot coupled to external nonmagnetic leads is analyzed theoretically in terms of the non-equilibrium Green function formalism based on the equation of motion method. The dot is assumed to be…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 R. Swirkowicz , J. Barnas , M. Wilczynski

We present a generalized approach for computing electron conductance and I-V characteristics in multiterminal junctions from first-principles. Within the framework of Keldysh theory, electron transmission is evaluated employing an O(N)…

Materials Science · Physics 2015-05-13 Kamal K. Saha , Wenchang Lu , J. Bernholc , Vincent Meunier

We investigate the transport characteristics of a redox system weakly coupled to leads in the Coulomb blockade regime. The redox system comprises a donor and acceptor separated by an insulating bridge in a solution. It is modeled by a…

Strongly Correlated Electrons · Physics 2010-09-08 Sabine Tornow , Gertrud Zwicknagl

This mini review focuses on conductance measurements through molecular junctions containing few tens of molecules, which are fabricated along two approaches: (i) conducting atomic force microscope contacting a self-assembled monolayers on…

Applied Physics · Physics 2019-11-12 Dominique Vuillaume

In condensed matter systems with the Coulomb interaction playing an important role one expects, besides the on-site (local) Hubbard-type interaction, that also other (non-local) terms depending on the site occupancy, known as correlated or…

Mesoscale and Nanoscale Physics · Physics 2024-12-30 Ulrich Eckern , Karol I. Wysokiński