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Electronic transport in a model molecular device coupled to local phonon modes is theoretically analyzed. The method allows for obtaining an accurate approximation of the system's quantum state irrespective of the electron and phonon energy…

Mesoscale and Nanoscale Physics · Physics 2007-10-10 Antonino La Magna , Ioannis Deretzis

We calculate the properties of an acoustic polaron in three dimensions in thermal equilibrium at a given low temperature using the path integral Monte Carlo method. The specialized numerical method used is described in full details, thus…

Materials Science · Physics 2013-07-11 Riccardo Fantoni

Quantum transport through single molecules is essentially affected by molecular vibrations. We investigate the behavior of the prototype single-level model with intermediate electron-vibron coupling and arbitrary coupling to the leads. We…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Dmitry A. Ryndyk , Gianaurelio Cuniberti

Modeling charge transport in DNA is essential to understand and control the electrical properties and develop DNA-based nanoelectronics. DNA is a fluctuating molecule that exists in a solvent environment, which makes the electron…

Biological Physics · Physics 2023-10-05 Hashem Mohammad , M. P. Anantram

We study the long-range electron and energy transfer mediated by a polaron on an $\alpha$-helix polypeptide chain coupled to donor and acceptor molecules at opposite ends of the chain. We show that for specific parameters of the system, an…

Other Condensed Matter · Physics 2020-01-14 Larissa S. Brizhik , Jingxi Luo , Bernard M. A. G. Piette , Wojtek J. Zakrzewski

We investigate the influence of a dissipative environment which effectively comprises the effects of counterions and hydration shells, on the transport properties of short \DNA wires. Their electronic structure is captured by a…

Soft Condensed Matter · Physics 2007-05-23 R. Gutierrez , S. Mandal , G. Cuniberti

A theoretical approach for the non-equilibrium transport properties of nanoscale systems coupled to metallic electrodes with strong electron-phonon interactions is presented. It consists in a resummation of the dominant Feynman diagrams…

Mesoscale and Nanoscale Physics · Physics 2014-02-20 R. Seoane Souto , A. Levy Yeyati , A. Martín-Rodero , R. C. Monreal

We present an extension of the work of D'Amato and Pastawski on electron transport in a one-dimensional conductor modeled by the tight binding lattice Hamiltonian and in which inelastic scattering is incorporated by connecting each site of…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Dibyendu Roy , Abhishek Dhar

We calculate the nonequilibrium conductance through a molecule or a quantum dot in which the occupation of the relevant electronic level is coupled with intensity $\lambda$ to a phonon mode, and also to two conducting leads. The system is…

Strongly Correlated Electrons · Physics 2015-06-15 P. Roura-Bas , L. Tosi , A. A. Aligia

We use self-consistent quantum transport theory to investigate the influence of electron-electron interactions on interlayer transport in semiconductor electron bilayers in the absence of an external magnetic field. We conclude that, even…

Mesoscale and Nanoscale Physics · Physics 2018-04-24 Youngseok Kim , Allan H. MacDonald , Matthew J. Gilbert

We investigate on the same footing the time-dependent electronic transport properties and vibrational dynamics of a molecular junction. We show that fluctuations of both the molecular vibron displacement and the electronic current across…

Mesoscale and Nanoscale Physics · Physics 2019-03-27 Rémi Avriller , R Souto , A. Martin-Rodero , A Yeyati

We study the finite-temperature transport of electrons coupled to anharmonic local phonons. Our focus is on the high-temperature incoherent regime, where controlled calculations are possible both for weak and strong electron--phonon…

Strongly Correlated Electrons · Physics 2021-10-22 Attila Szabó , S. A. Parameswaran , Sarang Gopalakrishnan

We calculate the time dependent nonequilibrium current through a single level quantum dot strongly coupled to a vibrational mode. The nonequilibrium real time dynamics caused by an instantaneous coupling of the leads to the quantum dot is…

Mesoscale and Nanoscale Physics · Physics 2013-02-27 Klaus Ferdinand Albrecht , Alvaro Martin-Rodero , Rosa Carmina Monreal , Lothar Mühlbacher , Alfredo Levy Yeyati

We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions [Phys. Rev. B {\bf 84}, 235428 (2011)]. We consider a model single-molecule nanojunction in the presence of two…

Mesoscale and Nanoscale Physics · Physics 2012-10-15 H. Ness , L. K. Dash

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

Electrons move along potential or thermal gradients. In the presence of a global gradient, applied e.g. to the two terminals of a conductor, this induces electric charge and heat currents. They can also flow between two equilibrated…

Mesoscale and Nanoscale Physics · Physics 2018-06-27 Rafael Sánchez

The vibronic mixing by an odd-parity vibrational mode of two opposite-parity nearly-degenerate electronic states at a molecular site may drive the small polaron off-center. An associated electric dipole may occur due to broken inversion…

Superconductivity · Physics 2007-05-23 M. Georgiev , M. Borissov

We study the hopping mechanism of the vibron excitation transport in the simple 1D model of biological macromolecular chains. We supposed that the vibron interaction with thermal oscillations of the macromolecular structural elements will…

Mesoscale and Nanoscale Physics · Physics 2014-12-17 D. Čevizović , Z. Ivic. , S. Galović , A. Chizhov A. , A. Reshetnyak

We develop a temperature dependent theory for singlet exciton hopping transport in disordered semiconductors. It draws on the transport level concept within a F\"orster transfer model and bridges the gap in describing the transition from…

Mesoscale and Nanoscale Physics · Physics 2018-08-22 Mehdi Ansari-Rad , Stavros Athanasopoulos

Due to solvation, excess charge carriers on 1d semiconductor nanostructures immersed in polar solvents undergo self-localization into polaronic states. Using a simplified theoretical model for small-diameter structures, we study…

Chemical Physics · Physics 2009-11-13 Yu. N. Gartstein , G. L. Ussery
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