Magnetic properties of nanoscale Fe clusters in Cu

The magnetic and electronic properties of fee 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 mu(B). Small Fe-n clusters (n less than or equal to 13) in Cu exhibit high-moment ferromagnetic coupling, while larger clusters (n greater than or equal to 13) in Cu show low-moment antiferromagnetic coupling. The magnetic properties of embedded fee Fe clusters in Cu have some features in common with nanoscale fee Fe/Cu(100) films.