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Electron transport characteristics are investigated through some molecular chains attached to two non-superconducting electrodes by the use of Green's function method. Here we do parametric calculations based on the tight-binding…

Mesoscale and Nanoscale Physics · Physics 2009-07-31 Santanu K. Maiti

The electrical transport properties of atomic-scale conductors are reviewed, with an emphasis on the relations of this problem with studies on quantum size effects in metallic clusters. A brief introduction is given of the natural formalism…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 J. M. van Ruitenbeek

Vibrational-excitation cross sections of ground electronic state of carbon dioxide molecule by electron-impact through the CO2-(2\Pi) shape resonance is considered in the separation of the normal modes approximation. Resonance curves and…

Chemical Physics · Physics 2016-11-01 V. Laporta , J. Tennyson , R. Celiberto

We present a detailed model describing the effects of wire corrugation on the trapping potential experienced by a cloud of atoms above a current carrying micro wire. We calculate the distortion of the current distribution due to corrugation…

We investigate chemical bond formation and conductance in a molecular C60-junction under finite bias voltage using first-principles calculations based on density functional theory and nonequilibrium Green's functions (DFT-NEGF). At the…

Mesoscale and Nanoscale Physics · Physics 2013-02-04 Søren Ulstrup , Thomas Frederiksen , Mads Brandbyge

Soft nanosystems are electronic nanodevices, such as suspended carbon nanotubes or molecular junctions, whose transport properties are modulated by soft internal degrees of freedom, for example slow vibrational modes. In this review,…

Mesoscale and Nanoscale Physics · Physics 2016-03-24 A. Nocera , C. A. Perroni , V. Marigliano Ramaglia , V. Cataudella

A self-consistent method for calculating electron transport through a molecular device is proposed. It is based on density functional theory electronic structure calculations under periodic boundary conditions and implemented in the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 San-Huang Ke , Harold U. Baranger , Weitao Yang

The influence of the electron-vibron coupling on the transport properties of a strongly interacting quantum dot built in a suspended carbon nanotube is analyzed. The latter is probed by a charged AFM tip scanned along the axis of the CNT…

Mesoscale and Nanoscale Physics · Physics 2016-11-25 N. Traverso Ziani , F. Cavaliere , M. Sassetti

We investigate quantum transport characteristics of a ladder model, which effectively mimics the topology of a double-stranded DNA molecule. We consider the interaction of tunneling charges with a selected internal vibrational degree of…

Soft Condensed Matter · Physics 2007-05-23 R. Gutierrez , S. Mohapatra , H. Cohen , D. Porath , G. Cuniberti

The detection of vibrational excitations of individual molecules on surfaces by scanning tunneling spectroscopy does not obey strict selection rules but rather propensity rules. The experimental verification of these is challenging because…

The acoustic vibrations of single monomers and dimers of gold nanoparticles were investigated by measuring for the first time their ultra-low frequency micro-Raman scattering. This experiment provides access not only to the frequency of the…

Here we present a theoretical analysis of inelastic effects on thermoelectric properties of molecular-scale junction in both linear and nonlinear response regimes. Considered device is composed of molecular quantum dot (with discrete energy…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 Kamil Walczak

We investigate the non-equilibrium transport properties of a disordered molecular nanowire. The nanowire is regarded as a quasi-one-dimensional organic crystal composed of self-assembled molecules. One orbital and a single random energy are…

Mesoscale and Nanoscale Physics · Physics 2017-06-07 P. Thiessen , E. Diaz , R. A. Roemer , F. Dominguez-Adame

Vibrationally coupled electron transport through single-molecule junctions is considered. Reviewing our recent theoretical work, we show that electron-hole pair creation processes represent the key to understand the vibrational excitation…

Mesoscale and Nanoscale Physics · Physics 2013-11-13 R. Härtle , U. Peskin , M. Thoss

We study the coupling of internal electronic excitations to vibrational modes of the external motion of ultracold atoms in an optical lattice. For different ground and excited state potentials the on-site coupling of excitations and…

Quantum Physics · Physics 2009-08-11 Hashem Zoubi , Helmut Ritsch

We investigate electron transport through a mono-atomic wire which is tunnel coupled to two electrodes and also to the underlying substrate. The setup is modeled by a tight-binding Hamiltonian and can be realized with a scanning tunnel…

Mesoscale and Nanoscale Physics · Physics 2010-11-25 Tomasz Kwapinski , Sigmund Kohler , Peter Hanggi

We use the non-equilibrium Green's function formalism along with a self-consistent Hartree-Fock approximation to numerically study the effects of a single impurity and interactions between the electrons (with and without spin) on the…

Strongly Correlated Electrons · Physics 2009-11-11 Amit Agarwal , Diptiman Sen

In bulk systems, molecules are routinely identified by their vibrational spectrum using Raman or infrared spectroscopy. In recent years, vibrational excitation lines have been observed in low-temperature conductance measurements on single…

Mesoscale and Nanoscale Physics · Physics 2010-02-25 Johannes S. Seldenthuis , Herre S. J. van der Zant , Mark A. Ratner , Joseph M. Thijssen

We analyze a single-level quantum system placed between metallic leads and strongly coupled to a localized vibrational mode, which models a singlemolecule junction or an STM setup. We consider a polaron model describing the interaction…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Pino D'Amico , Dmitry A. Ryndyk , Gianaurelio Cuniberti , Klaus Richter

Tunnel transport of interacting spin-polarized electrons through a single-level vibrating quantum dot in external magnetic field is studied. By using density matrix method, the current-voltage characteristics and the dependence of…

Mesoscale and Nanoscale Physics · Physics 2021-03-23 A. D. Shkop , O. M. Bahrova , S. I. Kulinich , I. V. Krive
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