Ab initio molecular dynamics of Al irradiation-induced processes during Al(2)O(3) growth
2011 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 98, no 11, 111908- p.Article in journal (Refereed) Published
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.
Engineering and Technology
IdentifiersURN: urn:nbn:se:liu:diva-69925DOI: 10.1063/1.3570650ISI: 000288569300090OAI: oai:DiVA.org:liu-69925DiVA: diva2:433185
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/2011-08-092011-08-082014-10-29