Unraveling the shape transformation in silicon clusters

Koblar A. Jackson, Mihai Horoi, Indira Chaudhuri, Thomas Frauenheim, Alexandre A. Shvartsburg

Research output: Contribution to journalArticlepeer-review

142 Scopus citations

Abstract

The shape transition in silicon clusters up to 27 atoms was investigated. The geometry through extensive, unbiased searches of the energy surfaces was obtained and tested them through direct, quantitative comparisons with all available experimental data. Some compact structures include tricapped trigonal prism (TTP) units that were believed to appear in the prolate species only. The results prove that the packing of midsize clusters was thermodynamically controlled and open the door to understanding the evolution of semiconductor nanosystems towards the bulk.

Original languageEnglish
Article number013401
Pages (from-to)013401-1-013401-4
JournalPhysical Review Letters
Volume93
Issue number1
DOIs
StatePublished - Jul 2 2004

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