Exploring the lowest-energy structures of group IV tetra-aurides: XAu_{4} (X=C, Si, Ge, Sn)
Titel:
Exploring the lowest-energy structures of group IV tetra-aurides: XAu_{4} (X=C, Si, Ge, Sn)
Auteur:
Pal, Rhitankar Bulusu, Satya Zeng, X.C.
Verschenen in:
Journal of computational methods in sciences and engineering
Paginering:
Jaargang 7 (2008) nr. 3-4 pagina's 185-193
Jaar:
2008-04-28
Inhoud:
We search for the lowest-energy structure of XAu_{4} (X=C, Si, Ge, Sn) clusters and calculate the photoelectron spectrum for the lowest-energy isomer of each species. The gradual destabilization of the tetrahedral geometry from C → Si → Ge → Sn, as well as the structural transition from the tetrahedral to the square planar geometry from SiAu_{4} to GeAu_{4}, indicate that the change of electronic properties in the group IV elements also plays an important role in the structures of Group IV tetra-aurides in addition to the known H/Au analogy in these species.