Abstract
The magnetic and electronic properties of fcc Fe clusters embedded in a Cu matrix are studied by the first-principles spin-polarized calculations within the local density functional formalism. A single Fe atom in a Cu host is found to have a magnetic moment of 3.05 μB. Small Fen clusters (n ≤ 13) in Cu exhibit high-moment ferromagnetic coupling, while larger clusters (n ≥ 13) in Cu show low-moment antiferromagnetic coupling. The magnetic properties of embedded fcc Fe clusters in Cu have some features in common with nanoscale fcc Fe/Cu(100) films.
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