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Behaviour of the ionization potential at the closing of atomic shells in large b.c.c.-like spherical sodium clusters

Authors
Journal
Solid State Communications
0038-1098
Publisher
Elsevier
Publication Date
Volume
94
Issue
9
Identifiers
DOI: 10.1016/0038-1098(95)80076-x
Keywords
  • A. Metals
  • A. Nanostructures

Abstract

Abstract Using Density Functional Theory we have calculated the ionization potential IP of Sodium clusters of sizes up to about 2000 atoms with body centered cubic structure and a rather spherical shape. The external ionic potential was spherically averaged about the cluster centre. IP is sensitive to the completion of atomic shells and the slope of the curve giving IP as a function of cluster size changes abruptly at those particular sizes.

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