The magnetic property of cluster Fe_6B

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The magnetic properties of cluster Fe_6B is studied by using a tight-binding Hubbard modelhamiltonian in the unrestricted Hartree-Fock approximation, which includes 4s, 3d, 4P orbitals forFe atom and the intra-atomic and inter-atomic coulomb interactions. We have obtained the magneticmoment and charge distributions, and found that the 4s electrons of Fe are transfered to B atom , whichis contrary to the risid-band theory, but in agreement with the.Mossbauer experiment. The reductionof magnetic moment is mainly caused by the interaction between B and Fe , which converts the majorityspin into minority spin.