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Density functional calculations for the electronic conductance of single molecules are now common. We examine the methodology from a rigorous point of view, discussing where it can be expected to work, and where it should fail. When…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Max Koentopp , Connie Chang , Kieron Burke , Roberto Car

In the framework of density functional theory a formalism to describe electronic transport in the steady state is proposed which uses the density on the junction and the {\em steady current} as basic variables. We prove that, in a finite…

Mesoscale and Nanoscale Physics · Physics 2016-01-12 G. Stefanucci , S. Kurth

The role of the discontinuity of the exchange-correlation potential of density functional theory is studied in the context of electron transport and shown to be intimately related to Coulomb blockade. By following the time evolution of an…

Mesoscale and Nanoscale Physics · Physics 2010-06-08 S. Kurth , G. Stefanucci , E. Khosravi , C. Verdozzi , E. K. U. Gross

Above the Kondo temperature, the Kohn-Sham zero-bias conductance of an Anderson junction has been shown to completely miss the Coulomb blockade. Within a standard model for the spectral function, we deduce a parameterization for both the…

Strongly Correlated Electrons · Physics 2015-07-30 Zhenfei Liu , Kieron Burke

We observed the recently predicted quantum suppression of dynamical Coulomb blockade on short coherent conductors by measuring the conductance of a quantum point contact embedded in a tunable on-chip circuit. Taking advantage of the circuit…

Mesoscale and Nanoscale Physics · Physics 2008-01-08 C. Altimiras , U. Gennser , A. Cavanna , D. Mailly , F. Pierre

We outline the qualitatively different physics behind charging-induced current asymmetries in molecular conductors operating in the weakly interacting self-consistent field (SCF) and the strongly interacting Coulomb Blockade (CB) regimes. A…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 O. D. Miller , B. Muralidharan , N. Kapur , A. W. Ghosh

Using time-dependent current-density functional theory, we derive analytically the dynamical exchange-correlation correction to the DC conductance of nanoscale junctions. The correction pertains to the conductance calculated in the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Na Sai , Michael Zwolak , Giovanni Vignale , Massimiliano Di Ventra

We investigate linear and nonlinear transport across single-walled carbon nanotube quantum dots weakly coupled to spin-polarized leads. We consider tubes of finite length and small diameter, where not only forward scattering contributions…

Mesoscale and Nanoscale Physics · Physics 2010-03-29 Christoph Schenke , Sonja Koller , Leonhard Mayrhofer , Milena Grifoni

We analyzed the effects of a spin voltage as well as a conventionally applied voltage in a QD system with a different number of quantum states in the dot region in presence of Coulombic interaction between the quantum dot and two leads. We…

Mesoscale and Nanoscale Physics · Physics 2015-06-15 O. V. Ogloblya , G. M. Kuznetsova

Dynamic conductance and time-of-flight current instability in a quantum wire connected to electron reservoirs under DC bias voltage are studied in the absence of a gate screening the Coulomb interaction of electrons. Due to a strong…

Mesoscale and Nanoscale Physics · Physics 2025-11-04 Bagun S. Shchamkhalova , Vladimir A. Sablikov

We discuss the calculation of the linear conductance through a Coulomb-blockade quantum dot in the presence of interactions beyond the charging energy. In the limit where the temperature is large compared with a typical tunneling width, we…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Y. Alhassid , T. Rupp , A. Kaminski , L. I. Glazman

We report low-temperature transport experiments on single-wall nanotubes with metallic leads of varying contact quality, ranging from weak tunneling to almost perfect transmission. In the weak tunneling regime, where Coulomb blockade…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Jesper Nygard , David H. Cobden

Nanoelectronics devices, such as quantum dot systems or single-molecule transistors, consist of a quantum nanostructure coupled to a macroscopic external electronic circuit. Thermoelectric transport between source and drain leads is…

Strongly Correlated Electrons · Physics 2022-09-05 Emma L. Minarelli , Jonas B. Rigo , Andrew K. Mitchell

Cotunneling transport through quantum dots weakly coupled to non-collinearly magnetized leads is analyzed theoretically by means of the real-time diagrammatic technique. The electric current, dot occupations, and dot spin are calculated in…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 Ireneusz Weymann , Jozef Barnas

We study low-temperature transport through carbon nanotube quantum dots in the Coulomb blockade regime coupled to niobium-based superconducting leads. We observe pronounced conductance peaks at finite source-drain bias, which we ascribe to…

Mesoscale and Nanoscale Physics · Physics 2009-05-25 K. Grove-Rasmussen , H. I. Jørgensen , B. M. Andersen , J. Paaske , T. S. Jespersen , J. Nygård , K. Flensberg , P. E. Lindelof

We consider a metallic wire coupled to two metallic electrodes via two junctions placed nearby. A bias voltage applied to one of such junctions alters the electron distribution function in the wire in the vicinity of another junction thus…

Strongly Correlated Electrons · Physics 2012-03-09 D. S. Golubev , A. D. Zaikin

We study the transport through a quantum dot coupled to two leads by single-mode point contacts. The linear conductance is calculated analytically as a function of a gate voltage and temperature T in the case when transmission coefficients…

Condensed Matter · Physics 2009-10-28 A. Furusaki , K. A. Matveev

We explore the finite bias DC differential conductance of a correlated quantum dot under the influence of an AC field, from the low-temperature Kondo to the finite temperature Coulomb blockade regime. Real-time simulations are performed…

Mesoscale and Nanoscale Physics · Physics 2018-06-27 G. Stefanucci , S. Kurth

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

We point out that single electron charging effects such as Coulomb Blockade (CB) and high-bias staircases play a crucial role in transport through single ultrashort molecules. A treatment of Coulomb Blockade through a prototypical molecule,…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Bhaskaran Muralidharan , Avik W Ghosh , Swapan K Pati , Supriyo Datta
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