Tight-binding molecular-dynamics study of ferromagnetic clusters
نویسندگان
چکیده
A minimal parameter tight-binding molecular-dynamics scheme incorporating a Hubbard Hamiltonian for the treatment of magnetic effects is detailed. The computational efficiency of the scheme allows applications to cluster sizes well beyond the range of ab initio techniques. The method is used to obtain magnetic moments of Ni, Fe, and Co clusters in excellent agreement with experiment. @S0163-1829~98!01416-7#
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تاریخ انتشار 1998