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Relationship between magnetism, topology, and reactivity of Rh clusters

Relationship between magnetism, topology, and reactivity of Rh clusters

Physical Review B, 1997
Abstract
Self-consistent first-principles calculations based on the molecular-orbital theory and the Korringa-Kohn-Rostoker Green's-function method have been used to demonstrate that the magnetism of Rh clusters can be altered by either modifying their structure or depositing them on a suitable substrate. This ability to alter the magnetic properties of clusters can also have significant effect on their chemical reactivity, thus linking the

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