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- W2052059371 abstract "Abstract We performed first-principles spin-polarized molecular cluster calculations with the discrete variational method within the framework of the local-density approximation of density-functional theory to study BCC Fe–Cu alloys. Our results indicate that both Fermi contact field and magnetic moment per Fe atom in iron-rich alloys are strongly affected by the local symmetry. At the interface between two thick slabs of iron and copper a first investigation shows an enhanced value for the hyperfine magnetic at the iron sites, although the Fe moment has a value which is close to that for bulk atoms." @default.
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- W2052059371 date "2003-07-01" @default.
- W2052059371 modified "2023-09-27" @default.
- W2052059371 title "Local magnetic properties of BCC Fe–Cu alloys" @default.
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- W2052059371 doi "https://doi.org/10.1016/s0304-8853(02)01541-x" @default.
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