Six structures for the Si43 cluster are compared using a tight-binding model. Two new structures are proposed which appear to be the low-energy isomers and to explain much of the existing experimental data. Cluster reactivity is distinguished from cluster stability, and several reasons are discussed which may lead to a reactive or unreactive species. These criteria are applied to the Si45 isomers, and the results are also correlated with experimental data.
|Number of pages||9|
|Journal||Journal of Chemical Physics|
|Publication status||Published - 1991|
|Publication type||A1 Journal article-refereed|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics