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For adjusting the charging state of a molecular metal complex in the context of a density functional theory description of coherent electron transport through single molecule junctions, we correct for self interaction effects by fixing the…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 Georg Kastlunger , Robert Stadler

We study the transport through a molecular junction exhibiting interference effects. We show that these effects can still be observed in the presence of molecular vibrations if Coulomb repulsion is taken into account. In the Kondo regime,…

Strongly Correlated Electrons · Physics 2019-09-04 P. Roura-Bas , F. Güller , L. Tosi , A. A. Aligia

Understanding the electronic and phononic transport properties of junctions consisting of a scattering region such as a nanoscale matters or molecules connected to two or more electrodes is the central basis for future nano and molecular…

Mesoscale and Nanoscale Physics · Physics 2016-07-11 Hatef Sadeghi

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

Molecular electronics on silicon has distinct advantages over its metallic counterpart. We describe a theoretical formalism for transport through semiconductor-molecule heterostructures, combining a semi-empirical treatment of the bulk…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 T. Rakshit , G-C. Liang , A. W. Ghosh , S. Datta

This mini review focuses on conductance measurements through molecular junctions containing few tens of molecules, which are fabricated along two approaches: (i) conducting atomic force microscope contacting a self-assembled monolayers on…

Applied Physics · Physics 2019-11-12 Dominique Vuillaume

Linear conductance of junctions formed by graphene flakes with order of nanometer-thick electrodes attached at the corners of the flakes is studied. The explored structures have sizes up to 20000 atoms and the conductance is studied as a…

Mesoscale and Nanoscale Physics · Physics 2015-10-08 Martin Konôpka

We study the transport properties in nodal line semimetals with short-ranged impurity potentials at zero temperature. By computing the Drude conductivity and the corrections from the interference of particle and hole trajectories, we find…

Mesoscale and Nanoscale Physics · Physics 2019-08-26 Hui Yang , Fa Wang

The conductance of breaking metallic nanojunctions shows plateaus alternated with sudden jumps, corresponding to the stretching of stable atomic configurations and atomic rearrangements, respectively. We investigate the structure of the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 A. Halbritter , Sz. Csonka , G. Mihály , O. I. Shklyarevskii , S. Speller , H. van Kempen

We study the low-energy electronic properties of a junction made of two crossed metallic carbon nanotubes of general chiralities. We derive a tight binding tunneling matrix element that couples low-energy states on the two tubes, which…

Mesoscale and Nanoscale Physics · Physics 2013-10-29 A. A. Maarouf , E. J. Mele

Based on the non-equilibrium Green's function (NEGF) technique and the Landauer-B\"{u}ttiker theory, the possibility of a molecular spin-electronic device, which consists of a single C$_{60}$ molecule attached to two ferromagnetic…

Mesoscale and Nanoscale Physics · Physics 2008-12-31 Alireza Saffarzadeh

Using first-principles calculations based on density functional theory combined with the non-equilibrium Green's function approach, the transport behaviors of a single-molecule junction formed by benzenedithiol connected to gold electrodes…

Materials Science · Physics 2022-09-20 Rigao Wang , Feng Shuang , Xiaowen Shi , Mingyan Chen

We consider the form of the current-voltage curves generated when tunneling spectroscopy is used to measure the energies of individual electronic energy levels in nanometer-scale systems. We point out that the voltage positions of the…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Edgar Bonet , Mandar M. Deshmukh , D. C. Ralph

Coherent spin-dependent electronic transport is investigated in a molecular junction made of polymeric chain attached to ferromagnetic electrodes (Ni and Co, respectively). Molecular system is described by a simple Huckel model, while the…

Soft Condensed Matter · Physics 2007-05-23 Kamil Walczak

The effect of electron-phonon coupling on the current noise in a molecular junction is investigated within a simple model. The model comprises a 1-level bridge representing a molecular level that connects between two free electron…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Michael Galperin , Abraham Nitzan , Mark A. Ratner

The features of the $IV$ characteristics of metallic carbon nanotubes (m-NTs) in different experimental setups are studied using semi-classical Boltzmann transport equation together with the heat dissipation equation to account for…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 M. A. Kuroda , J. -P. Leburton

In the linear regime, thermo-electric effects between two conductors are possible only in the presence of an explicit breaking of the electron-hole symmetry. We consider a tunnel junction between two electrodes and show that this condition…

Mesoscale and Nanoscale Physics · Physics 2020-03-17 G. Marchegiani , A. Braggio , F. Giazotto

To study a nonlocal electron transport in an aluminum superconducting quasi-one-dimensional structure, we measured negative nonlocal (local) direct current voltages in the structure in a magnetic field near the critical temperature. The…

Superconductivity · Physics 2026-04-30 V. I. Kuznetsov , O. V. Trofimov

A model for the current-voltage characteristic of the junction between an Ion-Sensitive-Membrane and an electrolyte solution is derived and compared with numerical simulations of the Poisson-Nernst-Planck model for ion transport. The…

Chemical Physics · Physics 2024-09-18 Leandro Julian Mele , Muhammad Ashraful Alam , Pierpaolo Palestri

Current-voltage characteristics were measured in the mixed state of Y1Ba2Cu3O(7-delta) superconducting films in the regime where flux flow becomes unstable and the differential conductivity dj/dE becomes negative. Under conditions where its…

Superconductivity · Physics 2009-11-07 Milind N. Kunchur , B. I. Ivlev , J. M Knight