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Electronic and atomic structure of Na, Mg, Al and Pb clusters (1988)

Iñiguez, M. P. ; Lopez, M. J. ; Alonso, J. A. ; [et al.]

Springer

The European physical journal 11 (1988), S. 163-174

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ISSN: 1434-6079

Keywords: 36.40 ; 31.20

Source: Springer Online Journal Archives 1860-2000

Topics: Physics

Notes: Abstract Density functional theory is used to study the electronic and atomic structure of small clusters of Na, Mg, Al and Pb. We study the quantityE N−1–E N , which has relevance to the processes of cluster growth and evaporation (E N is the total energy of the cluster withN atoms). By comparing the results of the jellium model with those of a more realistic model (although still simple) we are able to appreciate “structural” effects beyond the “electronic-shell effects” which form the essence of the predictions of the jellium model. The calculations predict formation of atomic shells and appreciable reconstruction as the cluster grows.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF01444433

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