Electronic Transport Properties of 1,1′-Ferrocene Dicarboxylic Acid Linked to Al(111) Electrodes
Author(s):
Cristian Morar, Ivan Rungger, Alexandre R. Rocha, Stefano Sanvito, Sorin Melinte, Gian-Marco Rignanese
Journal:
ACS Nano
Year:
2009
Volume:
3
Pages
4137–4143
DOI:
10.1021/nn9012059
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 currentvoltage characteristics are computed for various two-terminal device models and their relation with the electronic structure of the molecule is thoroughly discussed. The currentvoltage characteristics are asymmetric, spinindependent, 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