Berlin 2005 – scientific programme

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O: Oberflächenphysik

O 19: Nanostrukturen II

O 19.2: Talk

Saturday, March 5, 2005, 11:00–11:15, TU EB420

Theoretical analysis of quantum-size effects of Pb(100) films – the role of symmetry and implications for “elctronic growth" — •Dengke Yu and Matthias Scheffler — Fritz Haber Institut, Berlin

We performed detailed density-functional theory studies of lead films as function of thickness. In particular we will discuss in this talk the total energies, bandstructures, workfunctions, and surface relaxations. The results for Pb(100) exhibit noticeable oscillation with thickness which are ruled by quantum well states of different character. Their interplay gives rise to an interesting behavior that goes beyond the standard free-electron description of quantum-size effect. Consequences for “elctronic growth", i.e. for an enhanced stability of certain film thicknesses are discussed. We also compare our finding in Pb(100) with other lead surface orientations.