An Algorithm in Direct Space for the Local Electronic Structure of Ferromagnetic Phases: Co(bcc) and Ni(fcc)
We apply the multiple scattering cluster-in-condensed-matter technique to study the electronic structure of a single atom in a condensed matter like boundary potential. This central atom may be considered as an impurity embedded in its own material. From the results it is possible to analyzed the trends of the magnetizations, exchange splittings, band widths, etc. in the closed packed Co(bcc) and Ni(fcc) ferromagnetic materials. Ignoring geometric effects it is obtained an increase of the sd hybridization from Co to Ni. In fact, the results for nickel predicts a zero magnetic moment for copper (in a rigid band model scheme).
KeywordsOccupation Number Ferromagnetic Phasis Band Theory Freeze Layer Exchange Splitting
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