Effect of the equilibrium pair separation on cluster structures.pdfVIP

Effect of the equilibrium pair separation on cluster structures Y. Yang and D. Y. Sun State Key Laboratory of Precision Spectroscopy and Department of Physics, East China Normal University, Shanghai 200062, China (Dated: July 16, 2008) A simple pair potential, which equilibrium pair separation can be varied under a fixed inter- action range, has been proposed. The new potential can make both face-centered-cubic(fcc) and body-centered-cubic(bcc) structure stable by simply changing one parameter. To investigate the general effect of the potential shape on cluster structures, the evolution of cluster structures is cal- 8 culated for different equilibrium pair separations. The small size clusters(N 25), which adopt 0 the polytetrahedra, are almost independent on the details of the potential. For the large size 0 2 clusters(25 N 150), the potential with large equilibrium pair separation trends to stable deca- hedra and close-packed structure, disordered clusters appear for the potential with small equilibrium l pair separation, while for the middle range of equilibrium pair separation, the icosahedra are domi- u J nated. 6 1 I. INTRODUCTION structures.34,35,36 The original and mechanism of disor- dered structure in metal clusters were studied in term ] i Nanoclusters,