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.
|Number of pages||6|
|Journal||Physical Review A - Atomic, Molecular, and Optical Physics|
|Publication status||Published - 2003 Jan 1|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics