عنوان مقاله [English]
Spin-polarized Density functional calculations with the generalized gradient approximation (GGA) were employed for a systematic study of electronic structures, magnetic properties and magic numbers of Fe_n aggregates with n ≤9 atoms. The results show that the magnetic moment of per atom in each nano-cluster is higher than those of their bulk material magnetic moment. In generally, our results show that the magnetic moment per atom of the nano-clusters growth with the size of the clusters. In addition, the average binding energy increases monotonically with the increase of n and become comparable to the bulk values. Nano cluster with 7 atoms is the first magic number and this result is in good agreement with the experimental reports and on the other hand show that the approximations are proper. The study suggests that such Fe nano-clusters may be useful in biomedical and spintronic.