Spectroscopic Evidence for the Tricapped Trigonal Prism Structure of Semiconductor Clusters
Jürgen MüllerFachbereich Physik, Universität Konstanz, 78457 Konstanz, GermanyBei LiuAmes Laboratory and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011Alexandre A. ShvartsburgDepartment of Chemistry and Centre for Research in Mass Spectrometry, York University, 4700 Keele Street, Toronto, Ontario, Canada M3J 1P3Serdar ÖğütDepartment of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455James R. ChelikowskyDepartment of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455K. W. Michael SiuDepartment of Chemistry and Centre for Research in Mass Spectrometry, York University, 4700 Keele Street, Toronto, Ontario, Canada M3J 1P3Kai-Ming HoAmes Laboratory and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011Gerd GanteförFachbereich Physik, Universität Konstanz, 78457 Konstanz, Germany
2000en
ABI
Аннотация
We have obtained photoelectron spectra (PES) for silicon cluster anions with up to 20 atoms. Efficient cooling of species in the source has allowed us to resolve multiple features in the PES for all sizes studied. Spectra for an extensive set of low-energy Si(-)(n) isomers found by a global search have been simulated using density functional theory and pseudopotentials. Except for n = 12, calculations for Si(-)(n) ground states agree with the measurements. This does not hold for other plausible geometries. Hence PES data validate the tricapped trigonal prism morphologies for medium-sized Si clusters.
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