ANOMALOUS MAGNETISM IN SMALL MN CLUSTERS

Unlike any other transition metal clusters, and in sharp contrast to i ts bulk behavior, Mn clusters containing up to 5 atoms an found to ret ain their atomic magnetic moments. Mn-2, Mn-3, Mn-4 and Mn-5 clusters in their ground states are coupled ferromagnetically and carry a momen t of 10, 15, 20 and 25 mu(B), respectively. Several low-lying excited states have also been identified. These results are based on all elect ron first-principles self-consistent calculations using density functi onal theory and generalized gradient approximation. Predictive capabil ity of this approach is established by comparing the calculated energe tics, electronic and magnetic properties of Mn-2(+) with experiment. ( C) 1998 Published by Elsevier Science B.V. All rights reserved.