THE MAGNETIC-PROPERTIES OF 4D IMPURITIES IN AG-N CLUSTERS

The magnetic properties of small Ag(n)TM clusters (n = 3-7, 12; TM = R u, Rh, Pd) have been studied using a linear combination of atomic orbi tals approach with the density functional formalism, and the Kohn-Sham equation is solved self-consistently with the discrete variational me thod (DVM). The symmetry-quenching effect is found that the magnetic m oments of Rh in D-3h structure and Ru in T-d structure are quenched to zero. Meanwhile, it is found that Ru and Rh are magnetic (except for symmetry-quenching), and Pd is nearly nonmagnetic. The effects of symm etry, coordination number and atomic distance on the magnetic moment o f 4d impurities are discussed.