Missing row reconstruction on three low index surfaces of ten FCC metals

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