Current Opinion in Solid State & Materials Science vol:8 issue:3-4 pages:185-193
Recent studies of electronic and structural properties of small doped metal clusters are reviewed. Both theoretical and experimental investigations of size and composition dependent cluster properties have emphasized the importance of the interplay between geometry and electronic structure. The conceptually simple phenomenological shell models, which have been used extensively to describe bare simple metal clusters, are extended towards different types of doped cluster species by choosing appropriate ad hoc potentials. More detailed fundamental understanding is gained by investigating the delocalized molecular orbitals as computed with ab initio density functional theory. (c) 2004 Elsevier Ltd. All rights reserved.