Significant effects of magnetic electrodes on rhenium phthalocyanine molecules

Abstract

The investigation focused on examining the spin polarization and thermal spin polarization transport characteristics of dual rhenium phthalocyanine (Re2PC2) molecular junctions. This analysis was conducted using first-principles density-functional theory and the non-equilibrium Green's function approach. Calculations were performed on molecular junctions in two configurations: one at a non-magnetic electrode (Au) and the other at a magnetic electrode (Ni). A comparison of the spin transport properties of the two electrodes shows significant differences. The magnetic electrode has a notable effect on the spin-polarization and thermal spin-polarization transport properties of the devices. In contrast, the nickel electrode bis-phthalocyanine rhenium molecular device exhibits perfect spin/thermal spin-filtering efficiencies in a parallel structure. The properties of the dual phthalocyanine rhenium molecular devices were significantly affected by the nature of the electrodes. This makes dual rhenium phthalocyanine molecular junctions have great potential for the development of high-performance multifunctional spintronic and spin caloritronic devices.