The Si5 cluster forms a bitrigonal pyramid. This structure can form some stable and metastable (autodetaching) states with an additional electron, which attaches to the cluster surface. Energies of some of those states are determined based on ab initio calculations with the use of the coupled-cluster method combined with the first-order correlation orbital method. It is found that at least four states, i.e. X2A″2, 2E′, 2E″ and (2)2E′, lie below the electron ejection threshold.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry