Vibrational signatures for low-energy intermediate-sized Si clusters

Mark R. Pederson, Koblar Jackson

Research output: Contribution to journalArticlepeer-review

43 Scopus citations

Abstract

We report low-energy locally stable structures for the clusters (Formula presented) and (Formula presented). The structures were obtained by performing geometry optimizations within the local density approximation. Our calculated binding energies for these clusters are larger than any previously reported for this size regime. To aid in the experimental identification of the structures, we have computed the full vibrational spectra of the clusters, along with the Raman and IR activities of the various modes using a recently developed first-principles technique. These represent, to our knowledge, the first calculations of Raman and IR spectra for Si clusters of this size.

Original languageEnglish
Pages (from-to)2863-2867
Number of pages5
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume54
Issue number4
DOIs
StatePublished - 1996

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