Si_n Clusters: Surface Energy Considerations for Large n and All-Electron Hartree-Fock Calculations for n = 45

摘要

Si_n clusters are examined and their properties are compared and contrasted with alkalis over a wide range of n. For large n, surface energy considerations are employed to study the probable stable structures of Si clusters. These considerations are then supplemented by all-electron Hartree-Fock calculations for likely structures for n = 45.