The surface energy of metals

✍ Scribed by L. Vitos; A.V. Ruban; H.L. Skriver; J. Kollár

• Book ID: 117218636
• Publisher: Elsevier Science
• Year: 1998
• Tongue: English
• Weight: 236 KB
• Volume: 411
• Category: Article
• ISSN: 0039-6028
• DOI: 10.1016/s0039-6028(98)00363-x

✦ Synopsis

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.