CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1999, Vol. 16 ›› Issue (2): 128-134.

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Phonon dispersion and surface relaxation for fcc metals: an analytical embedded atom potential calculations

Cai Jun1,2, Liu Shaojun1, Ye Yiying3, Wang Renhui2   

  1. 1. Department of Physics, Beijing Normal University, 100875;
    2. Department of Physics, Wuhan University, 430072;
    3. The Centre of Instrumental Analysis, Wuhan University, 430072
  • Received:1997-11-25 Revised:1998-05-05 Online:1999-03-25 Published:1999-03-25

Abstract: A simple analytical embedded atom potential model is developed.The potential is used to calculate phonon dispersions,surface energies,surface relaxation,structure stability,and total energy curve of fcc metals:Al,Ag,Au,Cu,Ni,Pt,Pd.The results are in agreement with the experiments or the first principle calculations.In additions,compared with the previous non analytical potentials,this simple analytical form can make calculations more convenient and more efficient.

Key words: embedded atom potential, phonon dispersion, surface relaxion, fcc metals

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