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In this work, we have studied the chemical and magnetic interactions of Fe_n;n <= 6, clusters with a divacancy site in a graphene sheet by ab-initio densityfunctional calculations. Our results show significant chemical interactionsbetween the cluster and graphene. As a result, a complex distribution ofmagnetic moments appear on the distorted Fe clusters in presence of grapheneand results in a lower average magnetic moments compared to the free clusters.The presence of cluster also prevents the formation of 5-8-5 ringed structureknown to exhibit in a graphene sheet having a divacancy defect. The clustersinduce electronic states primarily of d-character near the Fermi level.

Interaction of iron clusters (Fe_n; n <= 6) with a divacancy in graphene