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We develop a general theory for thermal transport in anharmonic systems under the weak system-bath coupling approximation similar to the quantum master equation formalism. A current operator is derived, which is valid not only in the steady…

Mesoscale and Nanoscale Physics · Physics 2012-05-28 Juzar Thingna , J. L. García-Palacios , Jian-Sheng Wang

In this article we address the three-dimensional modeling and simulation of biological ion channels using a continuum-based approach. Our multi-physics formulation self-consistently combines, to the best of our knowledge for the first time,…

Numerical Analysis · Mathematics 2015-09-25 Riccardo Sacco , Paolo Airoldi , Aurelio G. Mauri , Joseph W. Jerome

The quantum dissipative dynamics of a tunneling process through double barrier structures is investigated on the basis of non-perturbative and non-Markovian treatment. We employ a Caldeira-Leggett Hamiltonian with an effective potential…

Mesoscale and Nanoscale Physics · Physics 2014-01-09 Atsunori Sakurai , Yoshitaka Tanimura

We implement molecular dynamics simulations in canonical ensemble to study the effect of confinement on a $2d$ crystal of point particles interacting with an inverse power law potential proportional to $r^{-12}$ in a narrow channel. This…

Soft Condensed Matter · Physics 2014-09-30 M. Ebrahim Foulaadvand , Neda Ojaghlou

Via computer simulations of the standard binary Lennard-Jones glass former we have obtained in a systematic way a large set of close-by pairs of minima on the potential energy landscape, i.e. double-well potentials (DWP). We analyze this…

Materials Science · Physics 2009-11-10 J. Reinisch , A. Heuer

The tip of a low-temperature scanning tunneling microscope is brought into contact with individual Kondo impurities (cobalt atoms) adsorbed on a Cu(100) surface. A smooth transition from the tunneling regime to a point contact with a…

Strongly Correlated Electrons · Physics 2007-05-23 N. Neel , J. Kroeger , L. Limot , K. Palotas , W. A. Hofer , R. Berndt

The effective spin Hamiltonian of a triple quantum dot with odd electron occupation weakly connected in series with left ($l$) and right ($r$) metal leads is composed of two-channel exchange and co-tunneling terms. Renormalization group…

Strongly Correlated Electrons · Physics 2007-05-23 T. Kuzmenko , K. Kikoin , Y. Avishai

The effect of a thermal environment on electron (or hole) transfer through molecular bridges and on the electron conduction properties of such bridges is studied. Our steady state formalism based on an extension of the Redfield theory (D.…

Condensed Matter · Physics 2009-11-07 Dvira Segal , Abraham Nitzan

We carry out experiments on single-molecule junctions at low temperatures, using the mechanically controlled break junction technique. Analyzing the results received with more than ten different molecules the nature of the first peak in the…

Mesoscale and Nanoscale Physics · Physics 2012-03-21 Daniel Secker , Stefan Wagner , Stefan Ballmann , Rainer Härtle , Michael Thoss , Heiko B. Weber

Sequential tunneling model is used to study electron transport in molecular rectifiers based on structures of donor-bridge-acceptor type. The device is made of two metallic electrodes connected by a molecule, which contains acceptor and…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Kamil Walczak

Hybridization effects play a crucial role in determining the electronic properties of hybrid inorganic/organic interfaces. To gain insight into these important interactions, we perform a first-principles study based on hybrid…

Materials Science · Physics 2022-04-06 Jannis Krumland , Caterina Cocchi

Systems in which interparticle interactions prevail can be described by hydrodynamics. This regime is typically difficult to access in the solid state for electrons. However, the high purity of encapsulated graphene combined with its…

Mesoscale and Nanoscale Physics · Physics 2020-08-12 Johannes Geurs , Youngwook Kim , Kenji Watanabe , Takashi Taniguchi , Pilkyung Moon , Jurgen H. Smet

Thermal diode, a type of device that allows heat to flow in one direction preferentially, can be employed in many thermal applications. However, if the mechanical compliance of the thermal diode is poor, which prevents its intimate contact…

We investigate tunneling through a short interacting wire. We identify two temperature regimes (a) $T_{Kondo}<T\le T^{wire}=\hbar v_F/k_Bd$ ($d$ is the length of the short wire) and (b) $T<T_{Kondo}\ll T^{wire}$. In the first regime the…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 D. Schmeltzer , A. Saxena , A. R. Bishop , D. L. Smith

The evolution of electron conductance in the presence of inelastic effects is studied as an atomic gold contact is formed evolving from a low-conductance regime (tunneling) to a high-conductance regime (contact). In order to characterize…

Mesoscale and Nanoscale Physics · Physics 2007-06-25 Thomas Frederiksen , Nicolas Lorente , Magnus Paulsson , Mads Brandbyge

Intramolecular ion-pair interactions yield shape and functionality to many molecules. With proper orientation, these interactions overcome steric factors and are responsible for the compact structures of several peptides. In this study, we…

Chemical Physics · Physics 2023-09-19 Sabyasachi Chakraborty , Kalyaneswar Mandal , Raghunathan Ramakrishnan

Several aspects of intermolecular effects in molecular conduction have been studied in recent years. These experimental and theoretical studies, made on several setups of molecular conduction junctions, have focused on the current-voltage…

Mesoscale and Nanoscale Physics · Physics 2013-06-21 Michael Galperin , Abraham Nitzan

Peculiarities of mixed cation effect in ternary glasses whose composition involves alkali and non-alkali unicharged ions and/or alkaline earth ions are explored within context of defect model for mixed mobile ion effect (V. Belostotsky, J.…

Materials Science · Physics 2010-09-02 Vladimir Belostotsky

Coherent electronic transport through individual molecules is crucially sensitive to quantum interference. Using exact diagonalization techniques, we investigate the zero-bias and zero-temperature conductance through $\pi$-conjugated…

Strongly Correlated Electrons · Physics 2015-05-14 Julian Rincon , K. Hallberg , S. Ramasesha

van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…