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The conductance of a molecular junction is commonly determined by either charge-transfer-doping, where alignment of the Fermi energy to the molecular levels is achieved, or tunnelling through the tails of molecular resonances within the…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 R. Gutierrez , G. Fagas , K. Richter , F. Grossmann , R. Schmidt

Deterministic and stochastic coupled oscillators with inertia are studied on the rectangular lattice under the shear-velocity boundary condition. Our coupled oscillator model exhibits various nontrivial phenomena and there are various…

Statistical Mechanics · Physics 2024-09-05 Hidetsugu Sakaguchi

A theoretical analysis of inelastic electron tunneling spectroscopy (IETS) experiments conducted on molecular junctions are presented, where the second derivative of the current with respect to voltage is usually plotted as a function of…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Kamil Walczak

We present a novel hierarchical quantum master equation (HQME) approach which provides a numerically exact description of nonequilibrium charge transport in nanosystems with electronic-vibrational coupling. In contrast to previous work…

Mesoscale and Nanoscale Physics · Physics 2018-06-20 C. Schinabeck , R. Härtle , M. Thoss

We develop a series of propensity rules for interpreting Inelastic Electron Tunneling (IET) spectra of single-molecule transport junctions. IETS has no selection rules, such as those seen in optical, infrared and Raman spectra, because IETS…

Materials Science · Physics 2015-06-25 Alessandro Troisi , Mark A. Ratner

Structural disorder is present in almost all experimental measurements of electronic transport through single molecules or molecular wires. To assess its influence on the conductance is computationally demanding, because a large number of…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 R. Maul , W. Wenzel

We investigate the instabilities and bifurcations of traveling pulses in a model excitable medium; in particular we discuss three different scenarios for the loss of stability resp. the disappearance of stable pulses. In numerical…

Pattern Formation and Solitons · Physics 2009-11-07 M. Or-Guil , J. Krishnan , I. G. Kevrekidis , M. Bar

We study the linear stability of weakly magnetized differentially rotating plasmas in both collisionless kinetic theory and Braginskii's theory of collisional, magnetized plasmas. We focus on the very weakly magnetized limit that is…

Astrophysics of Galaxies · Physics 2015-06-23 Eliot Quataert , Tobias Heinemann , Anatoly Spitkovsky

In the present work we theoretically analyze electroluminescence occurring in a biased single-molecule junction with a chiral bridge imitated by a helical chain. We show that optical transitions between electron states of the chiral linker…

Mesoscale and Nanoscale Physics · Physics 2025-07-22 Natalya A Zimbovskaya

A general theory of electronic excitations in aggregates of molecules coupled to intramolecular vibrations and the harmonic environment is developed for simulation of the third-order nonlinear spectroscopy signals. The model is applied in…

Chemical Physics · Physics 2014-01-17 Vytautas Butkus , Leonas Valkunas , Darius Abramavicius

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

Motivated by recent experimental observation (see e.g., I.V.Rubtsov, Acc. Chem. Res., v. 42, 1385 (2009)) of vibrational energy transport in CH_2O_N and CF_2_N molecular chains (N = 4 - 12), in this paper we present and solve analytically a…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 V. A. Benderskii , A. S. Kotkin , I. V. Rubtsov , E. I. Kats

In this paper we consider the possibility of the stable migration of the single vibron excitation in the system consisting of biomolecule and the attached molecular structure. The model is based on the assumption of the vibron self-trapping…

Mesoscale and Nanoscale Physics · Physics 2024-10-07 Dalibor Chevizovich , Slobodanka Galovic , Vasilije Matic , Sergei Eh. Shirmovsky , Denis V. Shulga , Alexei V. Chizhov

We study the electronic transport through a spin-1 molecule in which mechanical stretching produces a magnetic anisotropy. In this type of device, a vibron mode along the stretching axis will couple naturally to the molecular spin. We…

Strongly Correlated Electrons · Physics 2012-07-31 David A. Ruiz-Tijerina , Pablo S. Cornaglia , C. A. Balseiro , Sergio E. Ulloa

Macroscopic properties and shapes of biological tissues depend on the remodelling of cell-cell junctions at the microscopic scale. We propose a theoretical framework that couples a vertex model of solid confluent tissues with the dynamics…

Soft Condensed Matter · Physics 2020-12-02 Clement Zankoc , Matej Krajnc

Hybrid ion-atom systems provide an excellent platform for studies of state-resolved quantum chemistry at low temperatures, where quantum effects may be prevalent. Here we study theoretically the process of vibrational relaxation of an…

Atomic Physics · Physics 2020-04-01 Krzysztof Jachymski , Florian Meinert

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

We discuss the quantum transport of electrons through a resonant tunnel junction coupled to a nanomechanical oscillator at zero temperature. By using the Green's function technique we calculate the transport properties of electrons through…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 M Tahir , A MacKinnon

We consider a transmission line resonator which is driven by electrons tunneling through a voltage-biased tunnel junction. Using the Born-Markovian quantum master equation in the polaron basis we investigate the nonequilibrium photon state…

Mesoscale and Nanoscale Physics · Physics 2016-02-15 Jinshuang Jin , Michael Marthaler , Gerd Schön

We explore the velocity distributions in a vibrated binary granular gas system, focusing on how these distributions are influenced by the coefficient of restitution (CoR) and the inelasticity of particle collisions. Through molecular…

Soft Condensed Matter · Physics 2024-10-07 Rameez Farooq Shah , Syed Rashid Ahmad