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Contact epitaxy by deposition of Cu, Ag, Au, Pt, and Ni nanoclusters on (100) surfaces: Size limits and mechanisms

Jarvi, T. T. and Kuronen, A. and Meinander, K. and Nordlund, K. and Albe, K. (2007):
Contact epitaxy by deposition of Cu, Ag, Au, Pt, and Ni nanoclusters on (100) surfaces: Size limits and mechanisms.
In: Phys. Rev. B, American Physical Society, pp. 115422-1, 75, (11), [Online-Edition: http://prb.aps.org/abstract/PRB/v75/i11/e115422],
[Article]

Abstract

Low-energy deposition of individual metal clusters (6-2000 atoms) on a (100) surface is studied for copper, nickel, platinum, silver, and gold by means of molecular-dynamics simulations. For different temperatures ranging from 0 to 750 K we determine the maximum size of clusters that will achieve complete contact epitaxy upon deposition. The results show that two mechanisms contribute to epitaxial alignment. For the smallest cluster sizes, the heat of adsorption released at the interface will immediately (ps time scales) allow the cluster to melt and become epitaxial by resolidification. This effect gives roughly the same limit for all elements studied. On longer (ns) time scales, the clusters can align epitaxially by thermally actived motion of twinning dislocations. This mechanism leads to much higher limits of epitaxy than the resolidification process. Moreover, the resulting limits differ significantly between the elements.

Item Type: Article
Erschienen: 2007
Creators: Jarvi, T. T. and Kuronen, A. and Meinander, K. and Nordlund, K. and Albe, K.
Title: Contact epitaxy by deposition of Cu, Ag, Au, Pt, and Ni nanoclusters on (100) surfaces: Size limits and mechanisms
Language: English
Abstract:

Low-energy deposition of individual metal clusters (6-2000 atoms) on a (100) surface is studied for copper, nickel, platinum, silver, and gold by means of molecular-dynamics simulations. For different temperatures ranging from 0 to 750 K we determine the maximum size of clusters that will achieve complete contact epitaxy upon deposition. The results show that two mechanisms contribute to epitaxial alignment. For the smallest cluster sizes, the heat of adsorption released at the interface will immediately (ps time scales) allow the cluster to melt and become epitaxial by resolidification. This effect gives roughly the same limit for all elements studied. On longer (ns) time scales, the clusters can align epitaxially by thermally actived motion of twinning dislocations. This mechanism leads to much higher limits of epitaxy than the resolidification process. Moreover, the resulting limits differ significantly between the elements.

Journal or Publication Title: Phys. Rev. B
Volume: 75
Number: 11
Publisher: American Physical Society
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: 28 Feb 2012 14:57
Official URL: http://prb.aps.org/abstract/PRB/v75/i11/e115422
Identification Number: doi:10.1103/PhysRevB.75.115422
Funders: This study was supported by the Academy of Finland, Project No. 205729 under the Center of Excellence in Computational Molecular Science., We also gratefully acknowledge the grants of computer time from CSC, the Finnish IT Centre for Science.
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