Abstract
Electronic structure of 13-atom clusters of 4d nonmagnetic solids Pd, Rh, and Ru has been studied using a linear combination of atomic orbitals molecular-orbital approach within the density functional formalism. , , and are all found to have nonzero magnetic moments. Unexpectedly, the ground state of is found to have 21 unpaired electrons and thus a magnetic moment of 21. These 4d-element magnetic moments are a result of the reduced dimensionality and the enhanced electronic degeneracy due to the symmetry of the cluster. The effect of impurities on the moments is examined through calculations on , , , and clusters.
- Received 26 January 1993
DOI:https://doi.org/10.1103/PhysRevLett.70.3323
©1993 American Physical Society