Regensburg 2004 – wissenschaftliches Programm

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O: Oberflächenphysik

O 46: Grenzfläche fest-flüssig

O 46.6: Vortrag

Freitag, 12. März 2004, 12:30–12:45, H45

Adsorption of lead on copper surfaces — •Ari P Seitsonen und Jürg Hutter — Physikalisch Chemisches Institut der Universität Zürich

Adsorption of Pb on Cu(100) and Cu(111) leads to a variety of interesting phenomena. We use molecular dynamics methods to simulate the Pb monolayer on the copper surfaces, employing both density functional theory (DFT) to describe the electronic wave functions explicitly, and embedded atom method (EAM) for an empirical, fitted interaction between the atoms. We study the melting of the overlayer, and perform simulations at various different temperature regions.