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Vitos, L.; Ruban, A.V.; Skriver, H.L.; Kollár, J.
Surface science, 08/1998, Letnik: 411, Številka: 1-2Journal Article
We have used density functional theory to establish a database of surface energies for low index surfaces of 60 metals in the periodic table. The data may be used as a consistent starting point for models of surface science phenomena. The accuracy of the database is established in a comparison with other density functional theory results and the calculated surface energy anisotropies are applied in a determination of the equilibrium shape of nano-crystals of Fe, Cu, Mo, Ta, Pt and Pb.
