Electronic transport properties of 1,1'-ferrocene dicarboxylic acid linked to Al(111) electrodes.
(2009) ACS Nano — Vol. 3, n° 12, p. 4137-4143 (2009)
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- 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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Morari, C., Rungger, I., Rocha, A. R., Sanvito, S., Melinte, S., & Rignanese, G.-M. (2009). Electronic transport properties of 1,1′-ferrocene dicarboxylic acid linked to Al(111) electrodes. ACS Nano, 3(12), 4137-4143. https://doi.org/10.1021/nn9012059 (Original work published 2009)