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Phonon dispersion and surface relaxation for fcc metals: an analytical embedded atom potential calculations
Cai Jun, Liu Shaojun, Ye Yiying, Wang Renhui
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    1999, 16 (2): 128-134.  
Abstract274)      PDF (306KB)(974)      
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.
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