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Steps, kinks, and segregation at metallic surfaces |
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| Authors: | H. L. Skriver A. V. Ruban J. K. N rskov L. Vitos J. Koll r |
| Affiliation: | a Center for Atomic-scale Materials Physics and Department of Physics, Technical University of Denmark, DK-2800, Lyngby, Denmark b Condensed Matter Theory Group, Department of Physics, Uppsala University, Box 530, S-75121, Uppsala, Sweden c Research Institute for Solid State Physics, H-1525 Budapest, PO Box 49, Hungary |
| Abstract: | We have used density functional theory to establish databases of surface energies for low index surfaces of monoatomic metals and of surface segregation energies of single transition metal impurities in transition metal hosts. The data form one consistent starting point for models of surface science phenomena. |
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