Abstract
The magnetic and electronic properties of fcc-Fe clusters embedded in both Cu and Ag matrices are studied by the first-principles spin-polarized calculations within the local density functional formalism. Single Fe atoms in Cu and Ag hosts are found to have magnetic moments of 3.05 μ B and 3.31 μ B, respectively. Small Fe., clusters ( n ≤13) in Cu exhibit high-moment ferromagnetic coupling, while larger clusters ( n ≥13) in Cu show low-moment antiferromagnetic coupling. The Fe clusters in the Ag host exhibit only high-moment ferromagnetic behavior. The magnetic properties of embedded fcc-Fe clusters in Cu have some features in common with the nanoscale fcc Fe/Cu(100) films.
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