Structures and magic numbers of adatom clusters on metal fcc (001) surfaces

Jun Zhuang, Zhihua Sun, Wingham Zhang, Min Zhuang, Xijing Ning, Lei Liu, and Yufen Li
Phys. Rev. B 69, 165421 – Published 30 April 2004
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Abstract

With a genetic algorithm, the lowest-energy structures of adatom clusters on a series of metal fcc (001) surfaces are determined. The atomic interactions are modeled by the realistic model potentials including embedded-atom method potential, surface-embedded-atom method potential, and Rosato-Guillopé-Legrand potential. The results show that the adatom clusters of sizes n=6,9,,36 have the same structures on the different surfaces. Their special stability indicates that they are magic number clusters. For clusters of other sizes, the structures are generally different on the different surfaces. The change of the cluster structure with surfaces can be interpreted in terms of the relative interaction range and the compensation effect from the adatom-substrate interaction. When the interaction range becomes long and/or the compensation effect becomes strong, the shape of the lowest-energy structure tends to change from square to rectangle or even to one-dimensional chain.

  • Received 17 September 2003

DOI:https://doi.org/10.1103/PhysRevB.69.165421

©2004 American Physical Society

Authors & Affiliations

Jun Zhuang1,*, Zhihua Sun1, Wingham Zhang1, Min Zhuang2, Xijing Ning3, Lei Liu1, and Yufen Li1

  • 1Department of Optical Science and Engineering, State Key Joint Laboratory for Materials Modification by Laser, Ion and Electron Beams, Fudan University, Shanghai 200433, China
  • 2Département de Chimie, Université de Montréal, Case Postale 6128 Succursale Centre-ville, Montréal, Québec, Canada H3C 3J7
  • 3Institute of Modern Physics, Fudan University, Shanghai 200433, China

  • *Email address: junzhuang@online.sh.cn

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Vol. 69, Iss. 16 — 15 April 2004

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