Electronic states of Mn microclusters View Full Text


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Article Info

DATE

1991-03

AUTHORS

N. Fujima, T. Yamaguchi

ABSTRACT

Electronic states of Mnn+ microclusters forn=4∼7 are calculated by the spin-polarized DV-Xα-LCAO method. The energy levels of valence electrons are composed of two parts, the dense levels which contain much 3d electron components and the sparse levels which contain much 4s electron components. The distribution of the 4s electron levels roughly corresponds to that of one-electron orbitals in the shell model. The highest occupied level of the Mn5+ microcluster is located at a 4s electron level, which is filled with electrons, whereas those of the other microclusters are located at partially filled 4s levels or at dense 3d levels. These results explain the origin of the magic numbers observed in Mn cation microclusters. More... »

PAGES

185-187

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf01448287

DOI

http://dx.doi.org/10.1007/bf01448287

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1039125888


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