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RESEARCH PRODUCT

Electronic Shell Structure and the Crystal Field Splitting in Simple Metals Clusters

Puru JenaM. Manninen

subject

Materials scienceCondensed matter physicsShell (structure)General Physics and AstronomyElectronic structureMolecular physicsSchrödinger equationsymbols.namesakeFourier transformCrystal field theoryPhysics::Atomic and Molecular ClusterssymbolsCluster (physics)Perturbation theoryElectronic band structure

description

An upper limit for the number of atoms in metal clusters capable of exhibiting electronic shell structure has been estimated by comparing the energy difference between the highest occupied and the lowest unoccupied state with the crystal field splitting. The former is obtained by solving the Schrodinger equation for a spherical potential well with hard walls while the latter is obtained from the band structure of the solid. The results indicate that shell structures may persist in clusters containing as many as a million atoms.

https://doi.org/10.1209/0295-5075/14/7/006