Albe, Karsten ; Müller, Michael
ed.: Voigt, Axel (2005)
Cluster diffusion and island formation on fcc(111)metal surfaces.
In: Multiscale Modeling in Epitaxial Growth
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 ; Müller, Michael |
| Type of entry: | Bibliographie |
| Title: | Cluster diffusion and island formation on fcc(111)metal surfaces |
| Language: | English |
| Date: | 1 January 2005 |
| Place of Publication: | Basel |
| Publisher: | Birkhäuser Verlag |
| Journal or Publication Title: | ISNM International series of numerical mathematics |
| Issue Number: | 1 |
| Book Title: | Multiscale Modeling in Epitaxial Growth |
| Series: | Mini-Workshop at Mathematisches Forschungsinstitut Oberwolfach January 18–24, 2004 |
| Series Volume: | 149 |
| 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. |
| Uncontrolled Keywords: | Kinetic Monte Carlo, Molecular Dynamics, Cluster Diffusion, Island Shapes |
| Divisions: | 11 Department of Materials and Earth Sciences 11 Department of Materials and Earth Sciences > Material Science 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling |
| Date Deposited: | 20 Nov 2008 08:25 |
| Last Modified: | 08 Dec 2021 12:01 |
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