Magnetic structure of smal Fe-Ni clusters: Calculations in the Ni rich region

JAVIER GEVARA; ANA MARÍA LLOIS

REVISTA MEXICANA DE FíSICA

SOC MEXICANA FISICA

Lugar: México; Año: 1998 vol. 44 p. 22 - 24

0035-001X

Small clusters present many novel properties absent in bulk materials. One of the most relevant features of small transition metal systems is their magnetic behavior. Monoatomic clusters show a magnetic moment per atom larger than the in the bulk. However, Fe-Ni clusters have experimentally a lower magnetization than the corresponding bulk alloy values. In this contribution we calculate electronic and magnetic structure of Fe 1-xNi x clusters, for x > 0.5. We find ferro- and antiferromagnetic self-consistent solutions, in the antiferro solutions the Fe atoms are antiferromagnetically aligned among themselves, while the Ni atoms have a lower local magnetization than in the bulk.