Journal
CRYSTAL RESEARCH AND TECHNOLOGY
Volume 44, Issue 3, Pages 275-280Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/crat.200800402
Keywords
FCC metals; reconstruction; surface energy; MEAM
Categories
Funding
- State Key Development for Basic Research of China [2004CB619302]
Ask authors/readers for more resources
With modified embedded-atom method (MEAM), the surface energies of the perfect and (1x2) missing row structure on (100), (110) and (111) surfaces, and (1x3), (1x4) and (1x5) missing row structure on (110) surface have been calculated for ten FCC metals Pb, Au, Pt, Ir, Ag, Pd, Rh, Cu, Ni and Al. According to the energy minimization, we know that the (1x2) missing row reconstruction cannot be formed spontaneously on (100) and (111) surfaces of all ten FCC metals. However, not only (1x2) but also (1x3) missing row reconstruction can be formed on (110) surface of Au, Pt and Al spontaneously. These are consistent with the experimental results except Al for which the experiment has not been reported. The results are also analyzed in terms of the surface configurations and valence electron structures. (c) 2009 WILEY-VCH Verlag GmbH & Co, KGaA, Weinheim
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available