A Goldberg et al 2009 J. Phys. B: At. Mol. Opt. Phys. 42 125103 doi:10.1088/0953-4075/42/12/125103
A Goldberg1, M D Halls, P Kung and J-J Liang
Show affiliationsIn this paper we present results of the structural, energetic and electronic properties of Aln (n = 23, 26, 92) clusters calculated using density functional theory (DFT). Our main focus is the highly symmetric and energetically stable hollow Al92 cluster. This cluster appears as a natural extension of the smaller clusters, Al23 and Al26, that manifest similar structural motifs of pentagonal and hexagonal pyramids. The Al92 cluster maintains Ih symmetry and its central framework is similar to the structure of the well-known C60 fullerene and the recently reported B80 cluster. It has an additional Al atom below each hexagon centre and another one above each pentagon plane. To the best of our knowledge Al92 is the largest Al hollow cluster studied so far.
36.40.Mr Spectroscopy and geometrical structure of clusters
36.40.Qv Stability and fragmentation of clusters
Issue 12 (28 June 2009)
Received 27 December 2008, in final form 14 April 2009
Published 1 June 2009
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