Details

Autor(en) / Beteiligte

• Barreteau, C
• Salanon, B
• Desjonqueres, M C
• Spanjaard, D

Titel

Energy of defects on surfaces of copper

Ist Teil von

• Computational materials science, 1999-06, Vol.17 (2-4), p.269-274

Erscheinungsjahr

1999

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• A cluster cutting procedure for estimating the energies of terraces, steps and kinks is tested by using ab initio and tight-binding approaches. The terrace energy is found to converge for relatively small and symmetric clusters, while step and kink energies show a slow and oscillatory convergence with size of poorly symmetric clusters.