Spin Polarization of a Multiple-decked Sandwich Clusters: M(C₆H₆)₂ (M = Mn, Fe, Co)

Abstract

We investigate the spin polarization of a multiple-decked sandwich cluster, viz., M_n(C₆H₆)_n+1. As a first step, we consider M_n(C₆H₆)_n+1 clusters with n=1 and M = Mn, Fe, Co. Based on the density functional theory, we find an increase in the magnetic moment of the benzene clusters, and a decrease in the magnetic moment of M in the M(C₆H₆)₂ systems. From increased magnetic moment of benzenes, we find a way to inject spin to benzenes through 2p_z orbitals.