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

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  • Spin Polarization of a Multiple-decked Sandwich Clusters: M(C<sub>6</sub>H<sub>6</sub>)<sub>2</sub>(M = Mn, Fe, Co)

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Abstract

We investigate the spin polarization of a multiple-decked sandwich cluster, viz., Mn(C6H6)n+1. As a first step, we consider Mn(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 2pz orbitals.

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