Structural motifs, mixing, and segregation effects in 38-atom binary clusters.

@article{PazBorbn2008StructuralMM,
  title={Structural motifs, mixing, and segregation effects in 38-atom binary clusters.},
  author={Lauro Oliver Paz-Borb{\'o}n and Roy L. Johnston and Giovanni Barcaro and Alessandro Fortunelli},
  journal={The Journal of chemical physics},
  year={2008},
  volume={128 13},
  pages={134517}
}
Thirty eight-atom binary clusters composed of elements from groups 10 and 11 of the Periodic Table mixing a second-row with a third-row transition metal (TM) (i.e., clusters composed of the four pairs: Pd-Pt, Ag-Au, Pd-Au, and Ag-Pt) are studied through a combined empirical-potential (EP)/density functional (DF) method. A "system comparison" approach is adopted in order to analyze a wide diversity of structural motifs, and the energy competition among different structural motifs is studied at… CONTINUE READING