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Vibrational nonequilibrium effects in charge transport through single-molecule junctions are investigated. Focusing on molecular bridges with multiple electronic states, it is shown that electronic-vibrational coupling triggers a variety of…

Mesoscale and Nanoscale Physics · Physics 2011-03-15 R. Härtle , C. Benesch , M. Thoss

Vibronic effects in resonant electron transport through single-molecule junctions are analyzed. The study is based on generic models for molecular junctions, which include electronic states on the molecular bridge that are vibrationally…

Mesoscale and Nanoscale Physics · Physics 2011-03-15 R. Härtle , M. Thoss

We theoretically analyze the spectrum of a magnetic molecule when its charge and spin can couple to the molecular vibrations. More specifically, we show that the interplay between charge-vibron and spin-vibron coupling leads to a…

Mesoscale and Nanoscale Physics · Physics 2018-07-04 Ahmed Kenawy , Janine Splettstoesser , Maciej Misiorny

Single-molecule electronics has been envisioned as the ultimate goal in the miniaturisation of electronic circuits. While the aim of incorporating single-molecule junctions into modern technology still proves elusive, recent developments in…

Mesoscale and Nanoscale Physics · Physics 2017-11-22 Jakub K. Sowa , Jan A. Mol , G. Andrew D. Briggs , Erik M. Gauger

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

A two level model of a single molecule undergoing spectral diffusion dynamics and interacting with a sequence of two short laser pulses is investigated. Analytical solution for the probability of n=0,1,2 photon emission events for the…

Chemical Physics · Physics 2009-11-13 F. Shikerman , E. Barkai

We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling strengths may depend on the charge and excitation state of the…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Andre Erpenbeck , Rainer Härtle , Michel Bockstedte , Michael Thoss

Current-induced bond rupture is a fundamental process in nanoelectronic architectures such as molecular junctions and in scanning tunneling microscopy measurements of molecules at surfaces. The understanding of the underlying mechanisms is…

Mesoscale and Nanoscale Physics · Physics 2023-07-26 Yaling Ke , Jan Dvořák , Martin Čížek , Raffaele Borrelli , Michael Thoss

Fluctuation in fluorescence emission of immobilized single molecule is typically ascribed to the chromophore's intrinsic structural conformations and the influence of local environmental factors. Despite extensive research over several…

Chemical Physics · Physics 2024-08-07 Aranyak Sarkar , Vinu Namboodiri , Manoj Kumbhakar

We investigate the interplay of quantum interference effects and electronic-vibrational coupling in electron transport through single-molecule junctions, employing a nonequilibrium Green's function approach. Our findings show that inelastic…

Mesoscale and Nanoscale Physics · Physics 2013-02-18 R. Härtle , M. Butzin , M. Thoss

Vibrational density of states of a classical two-dimensional electron system obtained with a molecular-dynamics simulation is shown to have a peak in both solid and liquid phases. From an exact diagonalisation of the dynamical matrix, the…

Strongly Correlated Electrons · Physics 2009-10-31 Satoru Muto , Hideo Aoki

Excitable waves arise in many spatially-extended systems of either biological, chemical, or physical nature due to the interplay between local reaction and diffusion processes. Here we demonstrate that similar phenomena are encoded in the…

Pattern Formation and Solitons · Physics 2019-05-08 Francesco Marino , Giovanni Giacomelli

The capability to excite, probe, and manipulate vibrational modes is essential for understanding and controlling chemical reactions at the molecular level. Recent advancements in tip-enhanced Raman spectroscopies have enabled the probing of…

We propose a new method to characterize the spatial distribution of particles' vibrations in solids with much lower computational costs compared to the usual normal mode analysis. We excite the specific vibrational mode in a two dimensional…

Soft Condensed Matter · Physics 2016-05-24 Elsen Tjhung , Takeshi Kawasaki

Two-dimensional (2D) vibrational spectroscopy is a powerful means of investigating the structure and dynamics of complex molecules in condensed phases. However, even in theory, analysis of 2D spectra resulting from complex inter- and…

Chemical Physics · Physics 2025-01-07 Ryotaro Hoshino , Yoshitaka Tanimura

Consider a "simplicial molecule": $n$ equal point masses placed at the vertices of a regular $(n-1)$-simplex, connected by ${n \choose 2}$ identical springs. We apply the representation theory of the symmetric group $S_n$ to compute its…

Classical Physics · Physics 2023-05-05 Charles H. Conley , Jon Erickson

We show that radiative coupling between two multilevel atoms having near-degenerate states can produce new interference effects in spontaneous emission. We explicitly demonstrate this possibility by considering two identical V systems each…

Quantum Physics · Physics 2009-11-06 G. S. Agarwal , Anil K. Patnaik

We describe how to treat the interaction of travelling electrons with localised vibrational modes in nanojunctions. We present a multichannel scattering technique which can be applied to calculate the transport properties for realistic…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 H. Ness , A. J. Fisher

The coherence of two, coupled two-level systems, representing vibrational modes in a semiclassical model, is calculated in weak and strong fields for various coupling schemes and for different relative phases between initial state…

Chemical Physics · Physics 2009-11-10 S. A. Malinovskaya , P. H. Bucksbaum , P. R. Berman

We consider the dynamical properties of a simple model of vibrational surface modes. We obtain the exact spectrum of surface excitations and discuss their dynamical features. In addition to the usually discussed localized and oscillatory…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 H. L. Calvo , H. M. Pastawski