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期刊论文
Modelling of surface energies of elemental crystals
J. Phys.: Condens. Matter 16(2004)521-530,-0001,():
A simple formula without any free parameter is established to estimate surface energies of elemental metals of low-index surfaces, which is developed by modifying the classic broken-bond rule. The predicted results of the formula for 52 A1-A4 and sc elemental crystals are in agreement with experimental results and the first-principles calculations although deviations are present for several divalent sp metals.
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