Transporte eletrônico em sistemas híbridos de carbono acoplados em eletrodos de FE e FE/AU

Abstract

The use of unique molecules to compose electronic devices has been growing in recent years, due to the limits set in the miniaturization of electronic devices. In this perspective, the Carbyne (Polyyne and Cumulene) alottrope with a variation in the amount of carbon in the chain coupled to Fe and Fe / Au electrodes , constituting a molecular yarn. The analyzes allowed to characterize current curves, border molecular orbitals, transmission probability, diferential conductance curves and the density of states for transport. Finally, the results veri ed the efects on the chain variation, allowed to assimilate a characterization of increase in the current due to the addition of carbons to devices with Fe electrodes with similar characteristics of crossing of currents under the same voltage, as well as for the second proposal with Fe / Au electrodes that allowed to visualize the alternation in the density of states in regions of negative and positive energy for carbons in odd and even respectively. Also observed are NDR efects for some devices via addition of the Au atoms.