Theoretical determination of the absolute electron impact ionization cross-section function for silver clusters Ag-n (n=2-7)

Citation
H. Deutsch et al., Theoretical determination of the absolute electron impact ionization cross-section function for silver clusters Ag-n (n=2-7), J CHEM PHYS, 111(5), 1999, pp. 1964-1971
Citations number
46
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
5
Year of publication
1999
Pages
1964 - 1971
Database
ISI
SICI code
0021-9606(19990801)111:5<1964:TDOTAE>2.0.ZU;2-9
Abstract
A recently developed semiclassical approach (DM formalism) was used to calc ulate the absolute total electron-impact single ionization cross sections f or silver clusters Ag-n (n=2-7) from threshold to 1000 eV. Similar to other cluster properties, a clear odd-even effect has been observed for the calc ulated cross sections and is ascribed to the effective electron numbers in the valence shell. The only available experimental data for comparison are partial cross sections for the production of the singly charged parent ions for the monomer up to the tetramer. No experimental data are available as yet for any larger clusters nor for the total ionization cross sections. Ne vertheless, a comparison of the results of the present calculations with ca lculations using additivity rules applied to molecules and clusters gives v aluable insight into the ionization behavior of clusters as a function of c luster size and thus elucidates the transition from a molecular-type situat ion where the cross sections of the constituents are additive to a cluster- type situation where geometric effects lead to a n(2/3)-dependence in the l imit of large cluster sizes n. (C) 1999 American Institute of Physics. [S00 21-9606(99)00127-0].