Spectroscopic evidence for the tricapped trigonal prism structure of semiconductor clusters

Citation
J. Muller et al., Spectroscopic evidence for the tricapped trigonal prism structure of semiconductor clusters, PHYS REV L, 85(8), 2000, pp. 1666-1669
Citations number
30
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW LETTERS
ISSN journal
00319007 → ACNP
Volume
85
Issue
8
Year of publication
2000
Pages
1666 - 1669
Database
ISI
SICI code
0031-9007(20000821)85:8<1666:SEFTTT>2.0.ZU;2-4
Abstract
We have obtained photoelectron spectra (PES) for silicon cluster anions wit h up to 20 atoms. Efficient cooling of species in the source has allowed us to resolve multiple features in the PES fur all sizes studied. Spectra for an extensive set of low-energy Si-n(-) isomers found by a global search ha ve been simulated using density functional theory and pseudopotentials. Exc ept for n = 12, calculations for Si-n(-) ground states agree with the measu rements. This does not hold for other plausible geometries, Hence PES data validate the tricapped trigonal prism morphologies for medium-sized Si clus ters.