Gold clusters (Au{sub N}, 2{<=}N{<=}10) and their anions
Journal Article
·
· Physical Review. B, Condensed Matter and Materials Physics
- School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332-0430 (United States)
Atomic and electronic structures of neutral and anionic gold clusters (Au{sub N} and Au{sub N}{sup -}, 2{<=}N{<=}10) are investigated using the density-functional theory with scalar-relativistic ab initio pseudopotentials and a generalized gradient correction. The ground state optimal geometries of the neutral and anionic clusters are found to be planar up to N=7 and 6, respectively, with the much studied Au{sub 6}{sup -} cluster predicted to have a D{sub 3h} triangular structure. The calculated electron detachment energies of the ground-state anions exhibit strong odd-even alternations and structural sensitivity and agree quantitatively with photoelectron measurements. Photofragmentation patterns of the cluster anions and their interplay with the photodetachment process, are investigated and correlated with experiments. (c) 2000 The American Physical Society.
- OSTI ID:
- 20217219
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 4 Vol. 62; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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