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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

Electrical conductance through various nanocontacts between gold electrodes is studied by using the density functional theory, scalar-relativistic pseudopotentials, generalized gradient approximation for the exchange-correlation energy and…

Materials Science · Physics 2009-11-13 O. Lopez-Acevedo , D. Koudela , H. Häkkinen

We numerically investigate the thermoelectric properties of a triangle quantum dot connected to metallic electrodes using the non-equilibrium Green's function method in the Anderson model. Exploiting the equation of motion method in the…

Mesoscale and Nanoscale Physics · Physics 2022-06-08 Ahmad Ahmadi Fouladi , Javad Vahedi

We report on the single-molecule electronic and thermoelectric properties of strategically chosen anthracene-based molecules with anchor groups capable of binding to noble metal substrates, such as gold and platinum. Specifically, we study…

We study thermoelectric properties of the system composed of a monoatomic chain on a surface and additional electrode coupled to the chain, which can be an STM tip. In particular, we are interested in thermopower, electric and thermal…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 M. Krawiec , M. Jalochowski

Vibrational modes of molecules are fundamental properties determined by intramolecular bonding, atomic masses, and molecular geometry, and often serve as important channels for dissipation in nanoscale processes. Although single-molecule…

Mesoscale and Nanoscale Physics · Physics 2014-03-06 Y. Li , P. Doak , L. Kronik , J. B. Neaton , D. Natelson

This letter reports on the observation of optoelectronic switching in addressable molecular crossbar junctions fabricated using polymer stamp-printing method. The active medium in the junction is a molecular self-assembled monolayer softly…

Soft Condensed Matter · Physics 2009-04-28 J. C. Li

We investigate how temperature affects transport through large networks of nonlinear conductances with distributed thresholds. In monolayers of weakly-coupled gold nanocrystals, quenched charge disorder produces a range of local thresholds…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Raghuveer Parthasarathy , Xiao-Min Lin , Klara Elteto , T. F. Rosenbaum , Heinrich M. Jaeger

The thermodynamic uncertainty relation (TUR) is expected to hold in nanoscale electronic conductors, when the electron transport process is quantum coherent and the transmission probability is constant (energy and voltage independent). We…

Mesoscale and Nanoscale Physics · Physics 2020-05-20 Hava Meira Friedman , Bijay Kumar Agarwalla , Ofir Shein-Lumbroso , Oren Tal , Dvira Segal

We investigate the time evolution of the thermopower in a vibrating quantum dot suddenly shifted into the Kondo regime via a gate voltage by adopting the time-dependent non-crossing approximation and linear response Onsager relations.…

Strongly Correlated Electrons · Physics 2015-06-05 Ali Goker , Berna Uyanik

We have examined theoretically the spontaneous thinning process of tip-suspended nanowires, and subsequently studied the structure and stability of the monatomic gold wires recently observed by Transmission Electron Microscopy (TEM). The…

Materials Science · Physics 2009-10-31 J. A. Torres , E. Tosatti , A. Dal Corso , F. Ercolessi , J. J. Kohanoff , F. D. Di Tolla , J. M. Soler

The energy and charge fluxes carried by electrons in a two-terminal junction subjected to a random telegraph noise, produced by a single electronic defect, are analyzed. The telegraph processes are imitated by the action of a stochastic…

Mesoscale and Nanoscale Physics · Physics 2017-12-06 O. Entin-Wohlman , D. Chowdhury , A. Aharony , S. Dattagupta

Despite its intrinsic non-equilibrium origin, thermoelectricity in nanoscale systems is usually described within a static scattering approach which disregards the dynamical interaction with the thermal baths that maintain energy flow. Using…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Y. Dubi , M. Di Ventra

Despite its fundamental importance for nano physics and chemistry and potential device applications, the relationship between atomic structure and electronic transport in molecular nanostructures is not well understood. Thus the…

Mesoscale and Nanoscale Physics · Physics 2014-02-04 Alireza Saffarzadeh , Firuz Demir , George Kirczenow

We study a chain of alternating hot and cold electronic nanocavities -- connected to one another via resonant-tunneling quantum dots -- with the intent of achieving precise thermal control across the chain. This is accomplished by…

Mesoscale and Nanoscale Physics · Physics 2021-08-06 Étienne Jussiau , Sreenath K. Manikandan , Bibek Bhandari , Andrew N. Jordan

We explore layered strongly correlated materials as a platform to identify and control unconventional heat transfer phenomena. We demonstrate that these systems can be tailored to sustain a wide spectrum of heat transport regimes, ranging…

Strongly Correlated Electrons · Physics 2021-11-29 Giacomo Mazza , Marco Gandolfi , Massimo Capone , Francesco Banfi , Claudio Giannetti

We consider a mesoscopic four-terminal superconductor/normal metal (S/N) structure in the presence of a temperature gradient along the N wire. A thermoemf arises in this system even in the absence of the thermoelectric quasiparticle current…

Superconductivity · Physics 2009-11-11 A. F. Volkov , V. V. Pavlovskii

Gold atomic point contacts are prototype systems to evidence ballistic electron transport. The typical dimension of the nanojunction being smaller than the electron-phonon interaction length, even at room temperature, electrons transfer…

Mesoscale and Nanoscale Physics · Physics 2016-07-12 T. Malinowski , H. R. Klein , M. Iazykov , Ph. Dumas

The energy dependent thermoelectric response of a single molecule contains valuable information about its transmission function and its excited states. However, measuring it requires devices that can efficiently heat up one side of the…

Controlling the direction and magnitude of both heat and electronic currents using rectifiers has significant implications for the advancement of molecular circuit design. In order to facilitate the implementation of new transport phenomena…

Mesoscale and Nanoscale Physics · Physics 2019-08-02 Galen T. Craven , Dahai He , Abraham Nitzan