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Cluster diffusion and island formation on fcc(111)metal surfaces

Albe, Karsten ; Müller, MIchael
Voigt, Axel (ed.) :

Cluster diffusion and island formation on fcc(111)metal surfaces.
In: Multiscale Modeling in Epitaxial Growth. Mini-Workshop at Mathematisches Forschungsinstitut Oberwolfach January 18–24, 2004, 149 (1). Birkhäuser Verlag, Basel , pp. 19-28. ISBN 978-3-7643-7208-8 ISSN 978-3-7643-7208-8
[Buchkapitel], (2005)

Kurzbeschreibung (Abstract)

The role of cluster diffusion on Pt and Ir surfaces is discussed in the context of island nucleation on metals. By using molecular dynamics simulations based on a newly developed bond-order potential, the diffusion of Pt2 on a Pt(111) surface is studied. We observe that dimer diffusion proceeds via concerted motion on an hcp-bridge position towards the neighboring fcc-site. The importance of cluster diffusion is then investigated for the case of Ir island nucleation on Ir(111). We study the role of varying deposition rates on the island formation using an extended kinetic lattice Monte Carlo method that takes into account cluster diffusion and includes stacking fault positions. Our results reveal the strong influence of the deposition rate on island densities and shapes.

Typ des Eintrags: Buchkapitel
Erschienen: 2005
Herausgeber: Voigt, Axel
Autor(en): Albe, Karsten ; Müller, MIchael
Titel: Cluster diffusion and island formation on fcc(111)metal surfaces
Sprache: Englisch
Kurzbeschreibung (Abstract):

The role of cluster diffusion on Pt and Ir surfaces is discussed in the context of island nucleation on metals. By using molecular dynamics simulations based on a newly developed bond-order potential, the diffusion of Pt2 on a Pt(111) surface is studied. We observe that dimer diffusion proceeds via concerted motion on an hcp-bridge position towards the neighboring fcc-site. The importance of cluster diffusion is then investigated for the case of Ir island nucleation on Ir(111). We study the role of varying deposition rates on the island formation using an extended kinetic lattice Monte Carlo method that takes into account cluster diffusion and includes stacking fault positions. Our results reveal the strong influence of the deposition rate on island densities and shapes.

Titel der Zeitschrift, Zeitung oder Schriftenreihe: ISNM International series of numerical mathematics
Buchtitel: Multiscale Modeling in Epitaxial Growth
Reihe: Mini-Workshop at Mathematisches Forschungsinstitut Oberwolfach January 18–24, 2004
Band: 149
(Heft-)Nummer: 1
Ort: Basel
Verlag: Birkhäuser Verlag
Freie Schlagworte: Kinetic Monte Carlo, Molecular Dynamics, Cluster Diffusion, Island Shapes
Fachbereich(e)/-gebiet(e): Fachbereich Material- und Geowissenschaften > Materialwissenschaften > Materialmodellierung
Fachbereich Material- und Geowissenschaften > Materialwissenschaften
Fachbereich Material- und Geowissenschaften
Hinterlegungsdatum: 20 Nov 2008 08:25
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