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Electron transmission through molecules and molecular interfaces has been a subject of intensive research due to recent interest in electron transfer phenomena underlying the operation of the scanning tunneling microscope (STM) on one hand,…

Condensed Matter · Physics 2015-06-24 Abraham Nitzan

We examine theoretically coherent electron transport through the single-molecule magnet Mn$_{12}$, bridged between Au(111) electrodes, using the non-equilibrium Green's function method and the density-functional theory. We analyze the…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Kyungwha Park , Salvador Barraza-Lopez , Victor M. Garcia-Suarez , Jaime Ferrer

Using the tight-binding model and the generalized Green's function formalism, the effect of quantum interference on the electron transport through the benzene molecule in a semiconductor/benzene/semiconductor junction is numerically…

Mesoscale and Nanoscale Physics · Physics 2016-08-09 Javad Vahedi , Zahra Sartipi

To date, endeavors in nanoscale spintronics are dominated by the use of single-electron or single-spin transistors having at their heart a semiconductor, metallic or molecular quantum dot who's localized states are non-spin-degenerate and…

Mesoscale and Nanoscale Physics · Physics 2017-12-12 Ilia N. Sivkov , Oleg O. Brovko , Ivan Rungger , Valeri S. Stepanyuk

We present a theoretical study of electron transport through a molecule connected to two metallic nanocontacts. The system investigated is 1,4 benzene-dithiolate (BDT) chemically bonded to two Au contacts. The surface chemistry is modeled…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Eldon Emberly , George Kirczenow

We explore multi-terminal quantum transport through a benzene molecule threaded by an Aharonov-Bohm flux $\phi$. A simple tight-binding model is used to describe the system and all the calculations are done based on the Green's function…

Mesoscale and Nanoscale Physics · Physics 2010-06-22 Santanu K. Maiti

In this work, we have investigated conduction through an artificial molecule comprising two coupled quantum dots. The question addressed is the role of inter-dot coupling on electronic transport. We find that the current through the…

Mesoscale and Nanoscale Physics · Physics 2011-09-22 M. Imran , B. Tariq , M. Tahir , K. Sabeeh

We performed studies of coherent electronic transport through a single walled carbon nanotube. In the calculations multiple scattering on the contacts and interference processes were taken into account. Conductance is a composition of…

Materials Science · Physics 2016-08-31 W. Iwo Babiaczyk , Bogdan. R. Bulka

We theoretically investigate inelastic transport through anisotropic magnetic molecules weakly coupled to one ferromagnetic and one nonmagnetic lead. We find that the current is suppressed over wide voltage ranges due to spin blockade. In…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Florian Elste , Carsten Timm

The change of conductance of single molecule junctions in response to various external stimuli is the fundamental mechanism for single-molecule electronic devices with multiple functionalities. We propose a concept that the conductance of…

Mesoscale and Nanoscale Physics · Physics 2014-12-04 Chengbo Zhu , Xiaolin Wang

Coherent electronic transport through individual molecules is crucially sensitive to quantum interference. Using exact diagonalization techniques, we investigate the zero-bias and zero-temperature conductance through $\pi$-conjugated…

Strongly Correlated Electrons · Physics 2015-05-14 Julian Rincon , K. Hallberg , S. Ramasesha

It is understood that molecular conjugation plays an important role in charge transport through single-molecule junctions. Here, we investigate electron transport through an anthraquinone based single-molecule three-terminal device. With…

Mesoscale and Nanoscale Physics · Physics 2016-05-19 M. Koole , J. M. Thijssen , H. Valkenier , J. C. Hummelen , H. S. J. van der Zant

We investigate the interplay of ferroelectricity and quantum electron transport at the nanoscale in the regime of Coulomb blockade. Ferroelectric polarization in this case is no longer the external parameter but should be self-consistently…

Mesoscale and Nanoscale Physics · Physics 2014-05-02 S. A. Fedorov , A. E. Korolkov , N. M. Chtchelkatchev , O. G. Udalov , I. S. Beloborodov

We study contact effects on electron transport across a molecular wire sandwiched between two semi-infinite (carbon) nanotube leads as a model for nanoelectrodes. Employing the Landauer scattering matrix approach we find that the…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 G. Fagas , G. Cuniberti , K. Richter

The interplay between the electron transport in metal/ferroelectric/metal junctions with ultrathin ferroelectric barriers and the polarization state of a barrier is investigated. Using a model which takes into account screening of…

Other Condensed Matter · Physics 2009-11-11 M. Ye. Zhuravlev , R. F. Sabirianov , S. S. Jaswal , E. Y. Tsymbal

We measure the low bias conductance of a series of substituted benzene diamine molecules while breaking a gold point contact in a solution of the molecules. Transport through these substituted benzenes is by means of nonresonant tunneling…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Latha Venkataraman , Young S. Park , Adam C. Whalley Colin Nuckolls , Mark S. Hybertsen , Michael L. Steigerwald

Recently Smit et al. [Nature 419, 906 (2002)] have reported that a single hydrogen molecule can form a bridge between Pt electrodes, which has a conductance close to one quantum unit, carried by a single channel. We present density…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 J. Heurich , F. Pauly , J. C. Cuevas , W. Wenzel , Gerd Schoen

The exploring and understanding the electronic properties of molecules connected to metallic leads is a vital part of nanoscience if molecule is to have a future. This thesis documents a study for various families of organic and…

Computational Physics · Physics 2016-12-13 Oday A. Al-Owaedi

Recently, the chiral-induced spin selectivity in molecular systems has attracted extensive interest among the scientific communities. Here, we investigate the effect of the gate voltage on spin-selective electron transport through the…

Mesoscale and Nanoscale Physics · Physics 2015-09-16 Ting-Rui Pan , Ai-Min Guo , Qing-Feng Sun

A theory of electrical transport through molecular wires is used to estimate the electronic factor in the intramolecular electron transfer (ET) in porphyrin-nitrobenzene supermolecules, and to analyze its structure. The chosen molecules…

Soft Condensed Matter · Physics 2007-05-23 Natalya Zimbovskaya , Godfrey Gumbs