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Ab initio molecular dynamics of Al irradiation-induced processes during Al(2)O(3) growth
Rhein Westfal TH Aachen, Germany.
Rhein Westfal TH Aachen, Germany.
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Plasma and Coating Physics.ORCID iD: 0000-0003-2864-9509
Rhein Westfal TH Aachen, Germany.
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2011 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 98, no 11, 111908- p.Article in journal (Refereed) Published
Abstract [en]

Al bombardment induced structural changes in alpha-Al(2)O(3) (R-3c) and gamma-Al(2)O(3) (Fd-3m) were studied using ab initio molecular dynamics. Diffusion and irradiation damage occur for both polymorphs in the kinetic energy range from 3.5 to 40 eV. However, for gamma-Al(2)O(3)(001) subplantation of impinging Al causes significantly larger irradiation damage and hence larger mobility as compared to alpha-Al(2)O(3). Consequently, fast diffusion along gamma-Al(2)O(3)(001) gives rise to preferential alpha-Al(2)O(3)(0001) growth, which is consistent with published structure evolution experiments.

Place, publisher, year, edition, pages
American Institute of Physics , 2011. Vol. 98, no 11, 111908- p.
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Engineering and Technology
Identifiers
URN: urn:nbn:se:liu:diva-69925DOI: 10.1063/1.3570650ISI: 000288569300090OAI: oai:DiVA.org:liu-69925DiVA: diva2:433185
Note

Original Publication: Denis Music, Farwah Nahif, Kostas Sarakinos, Niklas Friederichsen and Jochen M. Schneider, Ab initio molecular dynamics of Al irradiation-induced processes during Al(2)O(3) growth, 2011, Applied Physics Letters, (98), 11, 111908. http://dx.doi.org/10.1063/1.3570650 Copyright: American Institute of Physics http://www.aip.org/

Available from: 2011-08-09 Created: 2011-08-08 Last updated: 2017-12-08

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