Bergman Clusters Related to Bulk Amorphous Alloys and Quasi—crystals

The fcc Zr2Ni and MgCu2-type phases, as primary crystallization phases from some bulk amorphous alloys, have similar Bergman clusters in the first-two-shell atomic arrangement, which also appears in the hp MgZn2-type Laves phase coexisting with icosahedral quasi-crystals in the TiZrNi system. Therefore, Bergman cluster may be a bridge linking bulk amorphous alloys and quasi-crystals. The stability of the Bergman clusters Zr31Ni14, Mg31Cu14 and Mg18Zn27 can be reflected by density of states at the Fermi level and distribution of charge density on the plane of (100) calculated by local density functional theory.