Polyatomic bismuth impacts into germanium: Molecular dynamics study

Using molecular dynamics simulations, we study the effects induced by the impact of Bin (n≤5) clusters with energies in the range of a 3–20 keV/atom into a Ge target. The target consists of Ge including a 10% contribution of randomly distributed Bi atoms. The impacting polyatomic clusters create a long-lived melt pool at the surface. After resolidification, the surface shows a characteristic meniscuslike depression; it is caused both by the missing sputtered atoms and by the volume change of Ge upon melting and amorphization. During cooling, Bi is driven towards the center of the melt pool. A large precipitate forms at the surface (for polyatomic impact) or in the center of the molten pocket (for monatomic impact). The remainder of the resolidified amorphous zone is purified from Bi. We argue that the reason for the demixing of Bi and Ge is the thermophoretic or Soret effect which is caused by the different diffusivities of Bi and Ge in the melt. Bi is sputtered preferentially from the sample. The extent of surface modification, the amount of Bi collected on the surface, the concentration of Bi, and structure of Bi precipitates in the former melt pool are analyzed in their dependence on projectile size, impact energy, and direction.