Abstract
The first-principles studies of the geometry and energetics of the Si 36 cluster were performed. Results showed that the tricapped-trigonal-prism unit is not the structural unit for Si 36 , and the stable structure is identified to have a more spherical geometry derived from the stuffed fullerene configurations. The structure was more stable in energy and more spherical in shape as compared to those of TTP wire.
Original language | English |
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Article number | 063201 |
Pages (from-to) | 632011-632016 |
Number of pages | 6 |
Journal | Physical Review A - Atomic, Molecular, and Optical Physics |
Volume | 67 |
Issue number | 6 |
Publication status | Published - 2003 Jan 1 |
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics