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Thermopower measurements of molecular junctions have recently gained interest as a characterization technique that supplements the more traditional conductance measurements. Here we investigate the electronic conductance and thermopower of…

Mesoscale and Nanoscale Physics · Physics 2015-06-15 Troels Markussen , Chengjun Jin , Kristian S. Thygesen

Using benzene-diamine and benzene-dithiol molecular junctions as benchmarks, we investigate the widespread analysis of the quantum transport conductance $\mathcal{G}(\epsilon)$ in terms of the projected density of states (PDOS) onto…

Mesoscale and Nanoscale Physics · Physics 2015-06-19 Tonatiuh Rangel , Gian-Marco Rignanese , Valerio Olevano

Using a first principles approach combined with analysis of heuristic tight-binding models, we examine the connectivity dependence of two forms of quantum interference in single molecules. Based on general arguments, Fano resonances are…

Mesoscale and Nanoscale Physics · Physics 2017-12-19 Ali K. Ismael Iain Grace , Colin J. Lambert

We carry out experiments on single-molecule junctions at low temperatures, using the mechanically controlled break junction technique. Analyzing the results received with more than ten different molecules the nature of the first peak in the…

Mesoscale and Nanoscale Physics · Physics 2012-03-21 Daniel Secker , Stefan Wagner , Stefan Ballmann , Rainer Härtle , Michael Thoss , Heiko B. Weber

When an atomic-size break junction is mechanically stretched, the total conductance of the contact remains approximately constant over a wide range of elongations, although at the same time the transmissions of the individual channels…

Mesoscale and Nanoscale Physics · Physics 2020-04-20 S. Kirchner , J. Kroha , E. Scheer

Non-equilibrium Green's functions (NEGF) formalism combined with extended Huckel (EHT) and charging model are used to study electrical conduction through single-molecule junctions. Analyzed molecular complex is composed of asymmetric…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Kamil Walczak , Sergey Edward Lyshevski

We develop a theory of the conductance of superconductor/normal metal/superconductor junctions in the case where the superconducting order parameter has d-wave symmetry. At low temperature the conductance is proportional to the square root…

Superconductivity · Physics 2012-07-19 D. A. Pesin , A. V. Andreev , B. Spivak

Spin-crossover (SCO) molecules are versatile magnetic switches with applications in molecular electronics and spintronics. Downscaling devices to the single-molecule level remains, however, a challenging task since the switching mechanism…

The single-molecule conductance of a 3-ring, conjugated azomethine was studied using the mechanically controlled breakjunction technique. Charge transport properties are found to be comparable to vinyl-based analogues; findings are…

Mesoscale and Nanoscale Physics · Physics 2016-08-18 Max Koole , Riccardo Frisenda , Michiel L. Petrus , Mickael L. Perrin , Herre S. J. van der Zant , Theo J. Dingemans

This thesis investigates the mechanically controlled break junctions, with a particular emphasis on elucidating the behaviour of molecular currents at room temperature. The core of this experimental investigation involves a detailed…

Mesoscale and Nanoscale Physics · Physics 2024-09-17 Giovanna Angelis Schmidt

Recently, rectifying direction inversion has been observed in dipyrimidinyl-diphenyl (PMPH) diblock molecular wire [J. Am. Chem. Soc. (2005) 127, 10456], and a protonation mechanism was suggested to explain this interesting phenomena. In…

Materials Science · Physics 2008-12-14 Zhenyu Li

We describe the synthesis and single molecule electrical transport properties of a molecular wire containing a ${\pi}$-extended tetrathiafulvalene (exTTF) group and its charge-transfer complex with F4TCNQ. We form single molecule junctions…

We study pentanedithiol molecular junctions formed by means of the break-junction technique with a scanning tunneling microscope at low temperatures. Using inelastic electron tunneling spectroscopy and first-principles calculations, the…

Molecular electronics is a fascinating area of research with the ability to tune device properties by a chemical tailoring of organic molecules. However, molecular electronics devices often suffer from dispersion and lack of reproducibility…

Mesoscale and Nanoscale Physics · Physics 2013-02-11 Nicolas Clement , David Guerin , Stephane Pleutin , Sylvie Godey , Dominique Vuillaume

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

Using an updated simulation tool, we examine molecular junctions comprised of benzene-1,4-dithiolate bonded between gold nanotips, focusing on the importance of environmental factors and inter-electrode distance on the formation and…

Mesoscale and Nanoscale Physics · Physics 2012-03-30 William R. French , Christopher R. Iacovella , Peter T. Cummings

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

Most elemental metals under ambient conditions adopt simple structures such as BCC, FCC and HCP in specific groupings across the Periodic Table, and on compression, many of these elements undergo transitions to surprisingly complex…

Materials Science · Physics 2022-06-27 Yuanhui Sun , Lei Zhao , Chris J. Pickard , Russell J. Hemley , Yonghao Zheng , Maosheng Miao

Electrically connected and plasmonically enhanced molecular junctions combine the optical functionalities of high field confinement and enhancement (cavity function), and of high radiative efficiency (antenna function) with the electrical…

We measure the transport properties of mechanically strained single crystals of BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ over a wide range of $x$. The N\'eel transition is extremely sensitive to stress and this sensitivity increases as optimal…

Superconductivity · Physics 2015-06-05 H-. H. Kuo , James G. Analytis , J. -H. Chu , R. M. Fernandes , J. Schmalian , I. R. Fisher