期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 16, 期 4, 页码 521-530出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/16/4/001
关键词
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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 Al-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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