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We study the effect of volumetric constraints on the structure and electronic transport properties of distilled water in a nanopore with embedded electrodes. Combining classical molecular dynamics simulations with quantum scattering theory,…

Soft Condensed Matter · Physics 2014-01-30 P. Boynton , M. Di Ventra

Motivated by a recent experiment on nonlinear tunneling in a suspended Carbon nanotube connected to two normal electrodes [S. Sapmaz, {\it et al}., Phys. Rev. Lett. {\bf 96}, 26801 (2006)], we investigate nonequilibrium vibration-mediated…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 X. Y. Shen , Bing Dong , X. L. Lei , N. J. M. Horing

A quantum statistical theory of spin-dependent tunneling through asymmetric magnetic double barrier junctions is presented which describes $both$ ballistic and diffuse tunneling by a single analytical expression. It is evidenced that the…

Materials Science · Physics 2009-11-07 M. Chshiev , D. Stoeffler , A. Vedyayev , K. Ounadjela

We study the effects of gating and contact geometry on current through self-assembled monolayers of conjugated molecules strongly coupled to gold electrodes by sulfur ``anchor groups''. The current changes by more than an order of magnitude…

Soft Condensed Matter · Physics 2009-11-07 A. M. Bratkovsky , P. E. Kornilovitch

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

In this Thesis we develop a novel direction in the theory of nano-objects, i.e., structures of nanometer size in a tunnel contact with macroscopic electron reservoirs (metallic leads). In particular we elucidate the Kondo effect predicted…

Strongly Correlated Electrons · Physics 2007-05-23 Tetyana Kuzmenko

Strongly correlated transport of interacting electrons through the one-dimensional tunnel contact is considered within the Luttinger liquid model of one-dimensional electrodes on arbitrary time scales $ t> \hbar /\Lambda_{g} $. Using…

Strongly Correlated Electrons · Physics 2022-07-20 Taras Hutak , Gleb Skorobagatko

By adjusting the tunnelling couplings over longer than nearest neighbor distances it is possible in discrete lattice models to reproduce the properties of the lowest energy band of a real, continuous periodic potential. We propose to…

Other Condensed Matter · Physics 2007-08-20 Rune Piil , Klaus Molmer

The phenomenon of Euclidean resonance (a strong enhancement of quantum tunneling through a nonstationary potential barrier) is applied to disintegration of atoms and molecules through tunnel barriers formed by applied constant and…

Quantum Physics · Physics 2007-05-23 B. Ivlev

We consider a current-carrying, phase-coherent multi-probe conductor to which a small tunneling contact is attached. We treat the conductor and the tunneling contact as a phase-coherent entity and use a Green's function formulation of the…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Thomas Gramespacher , Markus Buttiker

Tunneling spectroscopy of one-dimensional interacting wires can be profoundly sensitive to the boundary conditions of the wire. Here, we analyze the tunneling spectroscopy of a wire coupled to capacitive metallic leads. Strikingly, with…

Mesoscale and Nanoscale Physics · Physics 2019-04-03 Antonio Štrkalj , Michael S. Ferguson , Tobias M. R. Wolf , Ivan Levkivskyi , Oded Zilberberg

We present a theoretical study of the heat dissipation in single-molecule junctions. In order to investigate the heat dissipation in the electrodes and the relationship between the transmission spectra and the electronic structures, we…

Mesoscale and Nanoscale Physics · Physics 2016-08-09 Yaghoob Naimi , Javad Vahedi

We present a theoretical study of the transport characteristics of molecular junctions, where first-row diatomic molecules are attached to (001) gold and platinum electrodes. We find that the conductance of all of these junctions is of the…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 J. Ferrer , V. M. Garcia-Suarez

The electrical conductance of molecular junctions may strongly depend on the temperature, and weakly on molecular length, under two distinct mechanisms: phase-coherent resonant conduction, with charges proceeding via delocalized molecular…

Mesoscale and Nanoscale Physics · Physics 2017-12-25 Hyehwang Kim , Dvira Segal

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

Electron tunneling through a system formed by two coupled quantum dots in a parallel geometry is considered within a generalized Anderson model. The dots are assumed to have nearly equal radii but different (and tunable) gate voltages. In…

Strongly Correlated Electrons · Physics 2009-11-07 Yshai Avishai , Konstantin Kikoin

With the objective to understand microscopic principles governing thermal energy flow in nanojunctions, we study phononic heat transport through metal-molecule-metal junctions using classical molecular dynamics (MD) simulations. Considering…

Mesoscale and Nanoscale Physics · Physics 2022-11-23 Jonathan J. Wang , Jie Gong , Alan J. H. McGaughey , Dvira Segal

We report first-principles studies of electronic transport in monolayers of Tour wires functionalized with different side groups. An analysis of the scattering states and transmission eigenchannels suggests that the functionalization does…

Materials Science · Physics 2009-11-07 Jeremy Taylor , Mads Brandbyge , Kurt Stokbro

Thermal rectification which is a diode-like behavior of heat flux has been studied over a long time. However, a universal and systematic physical description is still lacking. In this letter, a perturbation theory of thermal rectification…

Mesoscale and Nanoscale Physics · Physics 2020-10-14 Chuang Zhang , Meng An , Zhaoli Guo , Songze Chen

Currents across thin insulators are commonly taken as single electrons moving across classically forbidden regions; this independent particle picture is well-known to describe most tunneling phenomena. Examining quantum transport from a…

Materials Science · Physics 2007-05-23 Giorgos Fagas , Paul Delaney , James C. Greer
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