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We present first principles calculations for the conductance of a hydrogen molecule bridging a pair of Pt electrodes. The transmission function has a wide plateau with T~1 which extends across the Fermi level and indicates the existence of…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 K. S. Thygesen , K. W. Jacobsen

This tutorial outlines the basic theoretical concepts and tools which underpin the fundamentals of phase-coherent electron transport through single molecules. The key quantity of interest is the transmission coefficient T(E), which yields…

Mesoscale and Nanoscale Physics · Physics 2016-01-05 C J Lambert

The distribution function of transmitted charge through a double-barrier junction is studied at zero temperature and at small applied voltage. Both a semiclassical model, in which the transport is described by jump rates, and a quantum…

Condensed Matter · Physics 2009-10-28 M. J. M. de Jong

The density of the transmission eigenvalues of Pb nano-contacts has been estimated recently in mechanically controllable break-junction experiments. Motivated by these experimental analyses, here we study the evolution of the density of the…

Mesoscale and Nanoscale Physics · Physics 2008-04-26 Victor A. Gopar

We study quantum transport in honeycomb lattice ribbons with either armchair or zigzag edges. The ribbons are coupled to semi-infinite linear chains serving as the input and output leads and we use a tight-binding Hamiltonian with…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Eduardo Cuansing , Jian-Sheng Wang

In order to have a better understanding of the matter formed in ultra-relativistic collisions, we estimate the jet transport coefficient, $\hat q$, within the Color Sting Percolation Model (CSPM) for various multiplicity classes in…

High Energy Physics - Phenomenology · Physics 2021-10-11 Dushmanta Sahu , Aditya Nath Mishra , Raghunath Sahoo

An integrated piecewise thermal equilibrium approach based on the first-principles calculation method has been developed to calculate bias dependent electronic structures and current- and differential conductance-voltage characteristics of…

Other Condensed Matter · Physics 2009-11-13 M. -H. Tsai , T. -H. Lu , Y. -H. Tang

The coherent transfer of excitations between different locations of a quantum many-body system is of primary importance in many research areas, from transport properties in spintronics and atomtronics to quantum state transfer in quantum…

Quantum Physics · Physics 2020-03-31 Wayne Jordan Chetcuti , Claudio Sanavio , Salvatore Lorenzo , Tony J. G. Apollaro

We review charge transport across molecular monolayers, which is central to molecular electronics (MoE) using large-area junctions (NmJ). We strive to provide a wide conceptual overview of three main sub-topics. First, a broad introduction…

Materials Science · Physics 2017-03-17 Ayelet Vilan , Dinesh Aswal , David Cahen

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

Single atom junctions between superconducting niobium leads are produced using the Mechanically Controllable Break Junction technique. The current-voltage characteristics of these junctions are analysed using an exact formulation for a…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 B. Ludoph , N. van der Post , E. N. Bratus' , E. V. Bezuglyi , V. S. Shumeiko , G. Wendin , J. M. van Ruitenbeek

The solid-state structures of organic charge transfer (CT) salts are critical in determining their mode of charge transport, and hence their unusual electrical properties, which range from semiconducting through metallic to superconducting.…

Mesoscale and Nanoscale Physics · Physics 2016-01-05 Andrea Vezzoli , Iain Grace , Carly Brooke , Kun Wang , Colin J. Lambert , Bingqian Xu , Richard J. Nichols , Simon J. Higgins

We present a study of the charge transmission behavior of a series of dithiol polyenes in the context of molecular junctions. Using the Landauer theory and zero voltage approximation the Green's functions of the inserted molecules are…

Materials Science · Physics 2007-05-23 Alexander Schnurpfeil , Martin Albrecht

The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 P. S. Cornaglia , D. R. Grempel , H. Ness

An electron transport is studied in the system which consists of scanning tunneling microscopy-single molecule magnet-metal. Due to quantum tunneling of magnetization in single-molecule magnet, linear response conductance exhibits stepwise…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Gwang-Hee Kim , Tae-Suk Kim

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

We have determined the transmission coefficients of atomic-sized Zn contacts using a new type of breakjunction which contains a whisker as a central bridge. We find that in the last conductance plateau the transport is unexpectedly…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 M. Häfner , P. Konrad , F. Pauly , J. C. Cuevas , E. Scheer

Exploring the use of individual molecules as active components in electronic devices has been at the forefront of nanoelectronics research in recent years. Compared to semiconductor microelectronics, modeling transport in single-molecule…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 Yongqiang Xue , Mark A. Ratner

We investigate transport in a three-terminal graphene quantum dot. All nine elements of the conductance matrix have been independently measured. In the Coulomb blockade regime accurate measurements of individual conductance resonances…

Mesoscale and Nanoscale Physics · Physics 2012-02-24 A. Jacobsen , P. Simonet , K. Ensslin , T. Ihn

In this contribution we demonstrate structural control over a transport resonance in HS(CH$_{2}$)$_{n}$[1,4 - C$_{6}$H$_{4}$](CH$_{2}$)$_{n}$SH (n = 1, 3, 4, 6) metal - molecule - metal junctions, fabricated and tested using the scanning…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Carly Brooke , Andrea Vezzoli , Simon J. Higgins , Linda A. Zotti , J. J. Palacios , Richard J. Nichols