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We present a combined theoretical approach to study the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes and exhibiting strong electron-phonon interactions. We use the Keldysh Green function formalism…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 R. C. Monreal , F. Flores , A. Martin-Rodero

We present a microscopic theory of single-electron tunneling through metallic nanoparticles connected to the electrodes through molecular bridges. It combines the theory of electron transport through molecular junctions with the description…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Yongqiang Xue , Mark A. Ratner

We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…

Mesoscale and Nanoscale Physics · Physics 2025-02-06 Gaëlle Bigeard , Zineb Kerrami , François Triozon , Alessandro Cresti

Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weakly coupled to external electrodes in the case where charging…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Bo Song , Dmitry A. Ryndyk , Gianaurelio Cuniberti

We study inelastic effects on the electronic current noise in molecular junctions, due to the coupling between transport electrons and vibrational degrees of freedom. Using a full counting statistics approach based on the generalized…

Mesoscale and Nanoscale Physics · Physics 2010-10-27 Federica Haupt , Tomas Novotny , Wolfgang Belzig

Electrical contacts between nano-engineered systems are expected to constitute the basic building blocks of future nano-scale electronics. However, the accurate characterization and understanding of electrical contacts at the nano-scale is…

Mesoscale and Nanoscale Physics · Physics 2012-04-03 Christophe Brun , Konrad H. Müller , I-Po Hong , François Patthey , Christian Flindt , Wolf-Dieter Schneider

Quantum transport properties of intermolecular nanotube contacts are investigated. We find that atomic structure in the contact region plays important roles and resistance of contacts varies strongly with geometry and nanotube chirality.…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Alper Buldum , Jian Ping Lu

We theoretically study the electronic transport in the monolayer of dithiolated phenylene vinylene oligomeres coupled to the (111) surfaces of gold electrodes. We use non-equilibrium Green functions (NEGF) and density functional theory(DFT)…

Materials Science · Physics 2009-11-10 Z. Crljen , A. Grigoriev , G. Wendin , K. Stokbro

We study the consequences of negative differential electron mobility in insulated gate field effect transistors (FETS) using the field model. We show that, in contrast to the case of the monotonic velocity saturation model, the field…

Strongly Correlated Electrons · Physics 2023-11-21 A. S. Furman

We present results of a set of experiments to investigate the effect of dissipative external electromagnetic environment on tunneling in linear arrays of junctions in the weak tunneling regime. The influence of this resistance decreases as…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Sh. Farhangfar , A. J. Manninen , J. P. Pekola

A negative differential resistance (NDR) in a one-dimensional band insulator attached to electrodes is investigated. We systematically examine the effects of an electrode bandwidth and a potential distribution inside the insulator on…

Strongly Correlated Electrons · Physics 2014-11-12 Yasuhiro Tanaka , Kenji Yonemitsu

The rate-equation approach is used to describe sequential tunneling through a molecular junction in the Coulomb blockade regime. Such device is composed of molecular quantum dot (with discrete energy levels) coupled with two metallic…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Kamil Walczak

Negative differential resistance remains an attractive but elusive functionality, so far only finding niche applications. Atom scale entities have shown promising properties, but viability of device fabrication requires fuller understanding…

Electromigrated nanoscale junctions have proven very useful for studying electronic transport at the single-molecule scale. However, confirming that conduction is through precisely the molecule of interest and not some contaminant or metal…

Mesoscale and Nanoscale Physics · Physics 2008-09-04 D. R. Ward , G. D. Scott , Z. K. Keane , N. J. Halas , D. Natelson

The interaction between electronic and vibrational degrees of freedom is an important mechanism in nonequilibrium charge transport through molecular nanojunctions. While adiabatic polaron-type coupling has been studied in great detail, new…

Mesoscale and Nanoscale Physics · Physics 2022-06-10 Christoph Kaspar , André Erpenbeck , Jakob Bätge , Christian Schinabeck , Michael Thoss

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

We calculate the non-linear tunneling current through a molecule with two electron-accepting orbitals which interact with an intramolecular vibration. We investigate the interplay between Coulomb blockade and non-equilibrium…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Katja C. Nowack , Maarten R. Wegewijs

Both experiments and theoretical studies have demonstrated that the interaction between the current carrying electrons and the induced polarization charge in single-molecule junctions leads to a strong renormalization of molecular charging…

Mesoscale and Nanoscale Physics · Physics 2013-11-22 K. Kaasbjerg , K. Flensberg

Precisely engineered tunnel junctions exhibit a long sought effect that occurs when the energy of the electron is comparable to the potential energy of the tunneling barrier. The resistance of metal-insulator-metal tunnel junctions…

Materials Science · Physics 2007-09-25 Casey W. Miller , Zhi-Pan Li , Ivan K. Schuller , R. W. Dave , J. M. Slaughter , Johan Akerman

We present real-time time-dependent density-functional-theory calculations of the electronic stopping power for negative and positive projectiles (electrons, protons, antiprotons and muons) moving through liquid water. After correction for…

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