Magnetism of nanoscale fcc-fe clusters in cu and ag matrices

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 μB and 3.31 μB, 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.