Magnetothermoelectric Properties of Ferrocene-Based Compounds Sandwiched by Transition Metals in the Presence of Gold Electrodes

Abstract

Using transition metals (TM) sandwiched by ferrocene (Fc) molecules coupled to the gold electrodes through the cobalt atoms, we investigate the effect of different TMs such as V, Cr, Mn, Fe, Co, and Ni on magnetothermoelectric and thermoelectric properties of the junction in a linear response regime. Our calculations are performed based on density functional theory coupled to nonequilibrium Green function formalism. All considered junctions have acceptable spin filter efficiency (SFE) because of a good spin splitting at Fermi energy. The distinct difference between the spin-up and spin-down population of the Cr sandwiched molecule (Co(Fc)2CrCo) causes outstanding results such as nearly perfect spin polarization (SFE = 98.2%) and high spin and charge thermopower. The higher thermoelectric and magnetothermoelectric efficiencies of Co(Fc)2CrCo junction at the Fermi level prove that it is a remarkable candidate for charge and pure spin-current generation.