Silicon clusters: Problems, challenges and perspectives

نویسندگان

  • George Maroulis
  • Aristides D. Zdetsis
چکیده

We search for the lowest-energy structure of XAu4 (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 SiAu4 to GeAu4, 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.

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عنوان ژورنال:
  • J. Comput. Meth. in Science and Engineering

دوره 7  شماره 

صفحات  -

تاریخ انتشار 2007