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

Albe, Karsten and Müller, MIchael
Voigt, Axel (ed.) (2005):
Cluster diffusion and island formation on fcc(111)metal surfaces.
In: Multiscale Modeling in Epitaxial Growth, Basel, Birkhäuser Verlag, pp. 19-28, [Book Section]

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.

Item Type: Book Section
Erschienen: 2005
Editors: Voigt, Axel
Creators: Albe, Karsten and Müller, MIchael
Title: Cluster diffusion and island formation on fcc(111)metal surfaces
Language: English
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.

Journal or Publication Title: ISNM International series of numerical mathematics
Title of Book: Multiscale Modeling in Epitaxial Growth
Series Name: Mini-Workshop at Mathematisches Forschungsinstitut Oberwolfach January 18–24, 2004
Volume: 149
Number: 1
Place of Publication: Basel
Publisher: Birkhäuser Verlag
ISBN: 978-3-7643-7208-8
Uncontrolled Keywords: Kinetic Monte Carlo, Molecular Dynamics, Cluster Diffusion, Island Shapes
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 20 Nov 2008 08:25
License: [undefiniert]
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