6533b7d8fe1ef96bd126abe5
RESEARCH PRODUCT
On the shell structure and geometry of monovalent metal clusters
M. ManninenJ. Manikka-ahoE. Hammarénsubject
Free electron modelMaterials scienceIcosahedral symmetryFermi levelElectronic structureMolecular physicsAtomic and Molecular Physics and OpticsCondensed Matter::Soft Condensed Mattersymbols.namesakePhysics::Atomic and Molecular ClusterssymbolsCluster (physics)Density of statesWulff constructionElectronic band structuredescription
The Huckel model is used to study the electronic structure of monovalent metal clusters. In an fcc cluster the Huckel model gives an estimate to the electronic structure of a free electron cluster. It is shown that the surface faceting of the fcc cluster can destroy the electronic shell structure already when the cluster has about 100 electrons. In the Huckel model the icosahedral structure has smaller total energy than the fcc structures, from which the Wulff construction has the smallest energy already when the cluster has 600 atoms.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1991-09-01 | Zeitschrift f�r Physik D Atoms, Molecules and Clusters |