Physics
Scientific paper
May 2003
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2003njph....5...46j&link_type=abstract
New Journal of Physics, Volume 5, Issue 1, pp. 46 (2003).
Physics
30
Scientific paper
The stability of cationic gold clusters doped with one transition metal atom was investigated by a mass spectrometric analysis of fragments resulting from high fluence irradiation of a cluster beam. Strongly enhanced abundances are found for Au5X+, X = V, Mn, Cr, Fe, Co, Zn, which implies that these species are far more stable towards fragmentation than their neighbouring cluster sizes. Here we interpret the enhanced stability of these clusters within a shell model approach for two-dimensional (2D) systems: the number of delocalized electrons in Au5X+ is six, which is a magic number for 2D systems. Quantum chemical calculations for AuNZn+ (N = 2-6) predict planar structures that are stabilized by the influence of the dopant atom. Also, the main features of the calculated molecular orbitals are well reproduced by a simple electron-in-a-box model. The present report constitutes the first observation of 2D magic numbers in size dependent properties of metal clusters.
Janssens Ewald
Lievens Peter
Neukermans Sven
Silverans Roger E.
Tanaka Hiromasa
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