Dynamical effects in the formation of magic cluster structures

2020-02-18 14:16:46

factors potential formation structures Magic

责任者: Baletto, F.;Rapallo, A.;Rossi, G.;Ferrando, R. 单位: Dipt. di Fisica, Univ. di Genova, Italy 来源出处: Physical Review B (Condensed Matter and Materials Physics)(Phys. Rev., B, Condens, Matter Mater. Phys. (USA)),2004/06/15,69(23):235421-1 摘要: The interplay of energetic, thermodynamic, and kinetic factors is of fundamental importance in the formation of magic structures in nano-objects. Here we combine different kinds of calculations and simulations to determine quantitatively all these factors, and present a thorough study of two paradigmatic examples, the Ag38 and Cu38 nanoclusters, modeled by a many-body potential interaction. These examples are chosen in order to show that, already in quite simple nano-objects, the formation process is sensitive to all these factors due to the finite size of the systems and to the finiteness of their formation time scale. Both Ag38 and Cu38 present the capability of retaining memory of the structures assumed during their formation process, here reproduced by freezing and growth simulations. This memory effect can thus strongly influence experimental clusters production, leading to the identification of magic structures that often do not coincide with the minimum potential energy structures located by global optimization techniques 关键词: copper;many-body problems;metal clusters;nanostructured materials;silver;dynamical effects;magic cluster structures formation;energetic factors;thermodynamic factors;kinetic factors;nanoobjects;nanoclusters;many-body potential interaction;formation time scale;freezing simulation;growth simulation;potential energy structures;memory effect;Ag38;Cu38