THE NATURE OF NANOSTRUCTURED CU-FE-O ALLOYS PRODUCED BY COPPER-STEEL SLIDING .2. THEORETICAL-ANALYSIS

The self-consistent field X alpha-SW cluster method was used for theor etical interpretation of the electronic structure of the intercrystall ine phase in nanostructured Cu-Fe-O alloys produced by copper-steel sl iding. The calculations of electronic structure were based on the mode l of the intercrystalline Cu-Fe-O phase as an aggregate of nFe-2nO clu sters arranged in a Cu host. The final calculations explain the absenc e of charge transfer between metal and oxygen atoms in the alloys stud ied as a consequence of covalent Fe-O bond formation in small nFe-2nO clusters, and nor an ionic one, as in bulk oxides.