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Electronic transport properties of 1,1'-ferrocene dicarboxylic acid linked to Al(111) electrodes
Cristian Morari1, Ivan Rungger, Alexandre R Rocha
1Universite Catholique de Louvain, 1348 Louvain-la-Neuve, Belgium.
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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