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We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…

Mesoscale and Nanoscale Physics · Physics 2008-12-18 Fabio Pistolesi , Yaroslav M. Blanter , Ivar Martin

The exchange of energy between electronic and nuclear motion is the origin of non-adiabaticity and plays an important role in many molecular phenomena and processes. Conical intersections (CIs) of different electronic potential energy…

Chemical Physics · Physics 2024-04-10 Csaba Fábri , András Csehi , Gábor J. Halász , Lorenz S. Cederbaum , Ágnes Vibók

We investigate the possibility of optical current control through single molecules which are weakly coupled to leads. A master equation approach for the transport through a molecule is combined with a Floquet theory for the time-dependent…

Chemical Physics · Physics 2016-09-08 Jörg Lehmann , Sébastien Camalet , Sigmund Kohler , Peter Hänggi

Conical intersections are common in molecular physics and photochemistry, and are often invoked to explain observed reaction products. A conical intersection can occur when an excited electronic potential energy surface intersects with the…

Quantum Physics · Physics 2023-02-06 Jacob Whitlow , Zhubing Jia , Ye Wang , Chao Fang , Jungsang Kim , Kenneth R. Brown

The influence of the charging effects on the transport characteristics of a molecular wire bridging two metallic electrodes in the limit of weak contacts is studied by generalized Breit-Wigner formula. Molecule is modeled as a quantum dot…

Chemical Physics · Physics 2009-11-10 Kamil Walczak

The linear conductance of a molecular conductor oscillating between two metallic leads is investigated numerically both for Hubbard interacting and noninteracting electrons. The molecule-leads tunneling barriers depend on the molecule…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 K. A. Al-Hassanieh , C. A. Büsser , G. B. Martins , E. Dagotto

This work analyzes the behavior of the interface between a ferromagnetic material and an alter-magnet. We use a well-established line of arguments based on electronic mean-field calculations to show that new surface phenomena that lead to…

Materials Science · Physics 2025-05-29 Gaspar De la Barrera , Alvaro S. Nunez

We investigate switching of magnetic tunnel junctions (MTJs) driven by the thermal effect of the transport current through the junctions. The switching occurs in a specially designed composite free layer, which acts as one of the MTJ…

Mesoscale and Nanoscale Physics · Physics 2018-01-17 A. F. Kravets , D. M. Polishchuk , V. A. Pashchenko , A. I. Tovstolytkin , V. Korenivski

We present an input-output formalism describing a tunnel junction strongly coupled to its electromagnetic environment. We exploit it in order to investigate the dynamics of the radiation being emitted and scattered by the junction. We find…

Mesoscale and Nanoscale Physics · Physics 2017-03-30 Christophe Mora , Carles Altimiras , Philippe Joyez , Fabien Portier

Electronic-vibrational coupling in single-molecule junctions may result in current-induced bond rupture and is thus an important mechanism for the stability of molecular junctions. We use the hierarchical quantum master equation (HQME)…

Mesoscale and Nanoscale Physics · Physics 2018-08-01 Andre Erpenbeck , Christian Schinabeck , Uri Peskin , Michael Thoss

It has been theoretically predicted that light carrying orbital angular momentum, or twisted light, can be tuned to have a strong magnetic-field component at optical frequencies. We here consider the interaction of these peculiar fields…

Mesoscale and Nanoscale Physics · Physics 2017-11-22 G. F. Quinteiro , D. E. Reiter , T. Kuhn

Thin film metal-insulator-metal junctions are used in a novel approach to investigate the dissipation of potential energy of multiply charged ions impinging on a polycrystalline metal surface. The ion-metal interaction leads to excited…

Non-equilibrium Green's functions (NEGF) formalism combined with extended Huckel (EHT) and charging model are used to study electrical conduction through single-molecule junctions. Analyzed molecular complex is composed of asymmetric…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Kamil Walczak , Sergey Edward Lyshevski

We show that individual vibrational modes in single-molecule junctions with asymmetric molecule-lead coupling can be selectively excited by applying an external bias voltage. Thereby, a non-statistical distribution of vibrational energy can…

Mesoscale and Nanoscale Physics · Physics 2017-09-13 R. Volkovich , R. Härtle , M. Thoss , U. Peskin

We derive the electric current on surface of a normal metal or superconductor induced by the light bosonic dark matter, such as axion or hidden photon, by appropriately taking account of the boundary condition of the electric and magnetic…

High Energy Physics - Phenomenology · Physics 2022-03-09 Yasuhiro Kishimoto , Kazunori Nakayama

Ultrafast science studies the dynamics of electrons in matter with extreme temporal precision, typically in the attosecond and femtosecond time domain. Recent experimental and theoretical progress has put metal-insulator-metal (MIM)…

Mesoscale and Nanoscale Physics · Physics 2025-03-20 Boyang Ma , Michael Krüger

We propose a model for a molecular junction with internal anharmonic torsional vibrations interacting with an electric current. The Wangsness-Bloch-Redfield master equation approach is used to determine the stationary reduced density matrix…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 Ivan A. Pshenichnyuk , Martin Čížek

We present electronic transport measurements through thiolated C$_{60}$ molecules in liquid environment. The molecules were placed within a mechanically controllable break junction using a single anchoring group per molecule. When varying…

Transfer-ionization in fast collisions between a bare ion and an atom, in which one of the atomic electrons is captured by the ion whereas another one is emitted, crucially depends on dynamic electron-electron correlations. We show that in…

Atomic Physics · Physics 2013-05-15 A. B. Voitkiv

The photo-induced metal-insulator transition is studied by the numerical simulation of real-time quantum dynamics of a double-exchange model. The spatial and temporal evolutions of the system during the transition have been revealed…

Strongly Correlated Electrons · Physics 2015-05-19 W. Koshibae , N. Furukawa , N. Nagaosa
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