The surface energy of metals

Levente Vitos, Andrei Ruban, Hans Lomholt Skriver

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Abstract

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 Ph. (C) 1998 Elsevier Science B.V. All rights reserved.
Original languageEnglish
JournalSurface Science
Volume411
Issue number1-2
Pages (from-to)186-202
ISSN0039-6028
DOIs
Publication statusPublished - 1998

Cite this

Vitos, L., Ruban, A., & Skriver, H. L. (1998). The surface energy of metals. Surface Science, 411(1-2), 186-202. https://doi.org/10.1016/S0039-6028(98)00363-X