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The local electronic and magnetic properties of Fe impurity in Al clusters
Authors:X S Chen  J J Zhao  G H Wang
Institution:1. Department of Physics and National Laboratory of Solid State Microstructures, Nanjing University, 210093, Nanjing, People's Republic of China
2. Center for Advanced Studies in Science and Technology of Microstructures, 210093, Nanjing, People's Republic of China
Abstract:The local magnetic property,d electronic structure and the charge transfer effect of Fe impurity in Al clusters have been studied by using a tight-binding model Hamiltonian in the unrestricted Hartree-Fock approximation, which includes intra-atomic and interatomic Coulomb interactions. We have obtained that local magnetic moment of Fe impurity in FeAl N clusters decreases with increasing cluster size and convergences to zero (that of bulk given by Anderson) withN larger than 12, meanwhile, the local magnetic moment for smaller clusters depends on the clusters size and it is a monotonous descent function of cluster size. We have also found that the spin splitting of the localizedd states decreases as the cluster size increases, which mainly results from the interaction between the localized electrons of Fe atom and the delocalized electrons of Al atoms.
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