Theory of electrical rectification in a molecular monolayer

Krzeminski, Christophe; Delerue, Christophe; Allan, Guy; Vuillaume, Dominique; Metzger, Robert

Document type :

Compte-rendu et recension critique d'ouvrage

DOI :

10.1103/PhysRevB.64.085405

Title :

Theory of electrical rectification in a molecular monolayer

Author(s) :

Krzeminski, Christophe [Auteur]

Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Delerue, Christophe [Auteur]

Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Allan, Guy [Auteur]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Vuillaume, Dominique [Auteur]

Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Metzger, Robert [Auteur]
University of Alabama [Tuscaloosa] [UA]

Journal title :

Physical Review B: Condensed Matter and Materials Physics (1998-2015)

Pages :

085405/1-6

Publisher :

American Physical Society

Publication date :

2001-08-02

ISSN :

1098-0121

HAL domain(s) :

Sciences de l'ingénieur [physics]

English abstract : [en]

The current-voltage characteristics in Langmuir-Blodgett monolayers of γ-hexadecylquinolinium tricyanoquinodimethanide (C16H33Q−3CNQ) sandwiched between Al or Au electrodes is calculated, combining ab initio and self-consistent ...
Show more >The current-voltage characteristics in Langmuir-Blodgett monolayers of γ-hexadecylquinolinium tricyanoquinodimethanide (C16H33Q−3CNQ) sandwiched between Al or Au electrodes is calculated, combining ab initio and self-consistent tight-binding techniques. The rectification current depends not only on the position of the LUMO and HOMO relative to the Fermi levels of the electrodes as in the Aviram-Ratner mechanism, but also on the profile of the electrostatic potential which is extremely sensitive to where the electroactive part of the molecule lies in the monolayer. This second effect can produce rectification in the direction opposite to the Aviram-Ratner prediction.Show less >

Language :

Anglais

Popular science :

Non

Collections :

Institut d'Électronique, de Microélectronique et de Nanotechnologie (IEMN) - UMR 8520

Source :

Harvested from HAL

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http://arxiv.org/pdf/1109.2695
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1109.2695
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