Electronic transport properties of 1,1'-ferrocene dicarboxylic acid linked to Al(111) electrodes

ACS Nano
Cristian MorariGian-Marco Rignanese

Abstract

The electronic transport properties of the 1,1'-ferrocene dicarboxylic acid sandwiched between Al(111) electrodes are studied using first-principles methods. The transmission spectra and the current-voltage characteristics are computed for various two-terminal device models and their relation with the electronic structure of the molecule is thoroughly discussed. The current-voltage characteristics are asymmetric, spin-independent, and vary with the anchoring structure of the molecule to the electrodes. A fine-tuning of the molecular conductance can be easily achieved by applying a gate potential, which is included in our simulations. Interestingly, a spin-polarized current can emerge as a consequence of the gate potential with the relative contribution of the two spin channels varying with the bias.

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Citations

Jan 12, 2011·The Journal of Chemical Physics·Bidisa Das, Molly De Raychaudhury
Jul 30, 2014·Physical Chemistry Chemical Physics : PCCP·G A Nemnes, Adela Nicolaev
Aug 12, 2015·The Journal of Physical Chemistry Letters·Maider OrmazaLaurent Limot
Oct 7, 2016·Physical Chemistry Chemical Physics : PCCP·Rui-Ning WangJiang-Long Wang
Mar 8, 2012·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Conrard Giresse Tetsassi FeugmoVincent Liégeois
Sep 26, 2012·Physical Review Letters·N Baadji, S Sanvito
Jul 8, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Sergey Yu KetkovWen-Bih Tzeng
Aug 14, 2020·Nano Letters·María Camarasa-GómezFerdinand Evers
Dec 6, 2018·Journal of the American Chemical Society·Albert C AragonèsIsmael Díez-Pérez

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