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For adjusting the charging state of a molecular metal complex in the context of a density functional theory description of coherent electron transport through single molecule junctions, we correct for self interaction effects by fixing the…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 Georg Kastlunger , Robert Stadler

In a molecular semiconductor, the carrier is dressed with a polarization cloud that we treat as a quantum field of Frenkel excitons coupled to it. The consequences of the existence of this electronic polaron on the dynamics of an extra…

Condensed Matter · Physics 2009-11-10 M. N. Bussac , J. D. Picon , L. Zuppiroli

We show that the formation of a gel by conducting colloidal particles leads to a dramatic enhancement in bulk conductivity, due to inter-particle electron tunneling, combining predictions from molecular dynamics simulations with structural…

Soft Condensed Matter · Physics 2013-06-24 Biagio Nigro , Claudio Grimaldi , Peter Ryser , Francesco Varrato , Giuseppe Foffi , Peter J. Lu

Quantum interference, be it destructive or constructive, has a substantial influence on the magnitude of molecular conductance and consequently there is significant interest in predicting these effects. It is commonly thought that…

Mesoscale and Nanoscale Physics · Physics 2015-10-21 Kim G. L. Pedersen , Anders Borges , Per Hedegård , Gemma C. Solomon , Mikkel Strange

Three terminal single-electron transistor devices utilizing Al/Al2O3 gate electrodes were developed for the study of electron transport through individual single-molecule magnets. The devices were patterned via multiple layers of optical…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 J. J. Henderson , C. M. Ramsey , E. del Barco , A. Mishra , G. Christou

We investigate the electronic transport through a suspended carbon-nanotube quantum dot. In the presence of a magnetic field perpendicular to the nanotube and a nearby metallic gate, two forces act on the electrons: the Laplace and the…

Mesoscale and Nanoscale Physics · Physics 2012-07-19 Gianluca Rastelli , Manuel Houzet , Leonid I. Glazman , Fabio Pistolesi

The transport and fluctuation properties of organic molecules ordered parallel between two Au contact leads are investigated by the method of surface Green function. From first-principles simulation the relevant hopping parameters are…

Mesoscale and Nanoscale Physics · Physics 2009-04-03 K. Morawetz S. Gemming , R. Luschtinetz , T. Kunze , P. Lipavský , L. M. Eng , G. Seifert , V. Pankoke , P. Milde

Understanding how the mechanism of charge transport through molecular tunnel junctions depends on temperature is crucial to control electronic function in molecular electronic devices. With just a few systems investigated as a function of…

Mesoscale and Nanoscale Physics · Physics 2016-05-27 Alvar R. Garrigues , Lejia Wang , Enrique del Barco , Christian A. Nijhuis

Electronic polarization is evaluated in pentacene crystals and in thin films on a metallic substrate using a self-consistent method for computing charge redistribution in non-overlapping molecules. The optical dielectric constant and its…

Condensed Matter · Physics 2009-11-10 E. V. Tsiper , Z. G. Soos

An alternating gradient electric guide provides a way to transport a wide variety of polar molecules, including those in high-field seeking states. We investigate the motion of polar molecules in such a guide by measuring the transmission…

Atomic Physics · Physics 2015-05-13 T. E. Wall , S. Armitage , J. J. Hudson , B. E. Sauer , J. M. Dyne , E. A. Hinds , M. R. Tarbutt

Devices made of few molecules constitute the miniaturization limit that both inorganic and organic-based electronics aspire to reach. However, integration of millions of molecular junctions with less than 100 molecules each has been a long…

Mesoscale and Nanoscale Physics · Physics 2013-02-11 Kacem Smaali , Nicolas Clement , Gilles Patriarche , Dominique Vuillaume

We theoretically study the spin-polarized transport through a single-molecule magnet, which is weakly coupled to ferromagnetic leads, by means of the rate-equation approach. We consider both the ferromagnetic and antiferromagnetic…

Mesoscale and Nanoscale Physics · Physics 2012-03-22 Haiqing Xie , Qiang Wang , Bo Chang , Hujun Jiao , J. -Q. Liang

We apply a first-principles computational approach to study a light-sensitive molecular switch. The molecule that comprises the switch can convert between a trans and a cis configuration upon photo-excitation. We find that the conductance…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Chun Zhang , M. -H. Du , H. -P. Cheng , X. -G. Zhang , A. E. Roitberg , J. L. Krause

We report on the charge carrier dynamics in single lateral quantum dot molecules and the effect of an applied electric field on the molecular states. Controllable electron tunneling manifests itself in a deviation from the typical excitonic…

Mesoscale and Nanoscale Physics · Physics 2012-02-29 C. Hermannstädter , G. J. Beirne , M. Witzany , M. Heldmaier , J. Peng , G. Bester , L. Wang , A. Rastelli , O. G. Schmidt , P. Michler

Tunneling of electrons through the barriers in heterostructures has been studied, within unified transfer matrix approach. The effect of barrier width on the transmission coefficient of the electrons has been investigated for different…

Mesoscale and Nanoscale Physics · Physics 2010-02-10 Jatindranath Gain , Madhumita Das Sarkar , Sudakshina Kundu

We study the effects of charged impurity scattering on the electronic transport properties of <110>-oriented Si nanowires in a gate-all-around geometry, where the impurity potential is screened by the gate, gate oxide and conduction band…

Mesoscale and Nanoscale Physics · Physics 2011-06-07 Martin P. Persson , Hector Mera , Yann-Michel Niquet , Christophe Delerue , Mamadou Diarra

We discuss the quantum transport of electrons through a resonant tunnel junction coupled to a nanomechanical oscillator at zero temperature. By using the Green's function technique we calculate the transport properties of electrons through…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 M Tahir , A MacKinnon

We theoretically study the electron transport through a magnetic point contact (PC) with special attention to the effect of an atomic scale domain wall (DW). The spin precession of a conduction electron is forbidden in such an atomic scale…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Hiroshi Imamura , Nobuhiko Kobayashi , Saburo Takahashi , Sadamichi Maekawa

It is still a matter of controversy whether the relative difference in hole and electron transport in solution-processed organic semiconductors is either due to intrinsic properties linked to chemical and solid-state structure or to…

Chemical Physics · Physics 2019-12-02 Giuseppina Pace , Ilaria Bargigia , Yong-Young Noh , Carlos Silva , Mario Caironi

In a recent paper Liang {\it et al.} [Nature {\bf 411}, 665 (2001)] showed experimentally, that metallic nanotubes, strongly coupled to external electrodes, may act as coherent molecular waveguides for electronic transport. The experimental…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 S. Krompiewski , J. Martinek , J. Barnas
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