caa a22 4500 463214145 CHVBK 20180405153151.0 cr unu---uuuuu 170326e20070301xx s 000 0 eng 10.1007/s00339-006-3761-3 doi (NATIONALLICENCE)springer-10.1007/s00339-006-3761-3 Ab initio characterization of arsenic vacancy diffusion pathways in GaAs with SIEST-A-RT [Elektronische Daten] [F. El-Mellouhi, N. Mousseau] We use the SIEST-A-RT simulation technique to study in detail arsenic vacancy self-diffusion mechanisms in GaAs. Vacancy self diffusion is of fundamental importance for the understanding of semiconductor nanostructure formation. We find that the dominant mechanism for both -1 and +1 charge states is the plane-passing jump to the second neighbour. Contrary to the Ga vacancy, the height of the activation barrier is essentially independent of the charge state. Other, less probable, diffusion mechanisms are also discussed. Springer-Verlag, 2006 El-Mellouhi F. Département de Physique and Regroupement Québécois sur les Matériaux de Pointe, Université de Montréal, succ. Centre-ville, C.P. 6128, H3C 3J7, Montréal (Québec), Canada aut Mousseau N. Département de Physique and Regroupement Québécois sur les Matériaux de Pointe, Université de Montréal, succ. Centre-ville, C.P. 6128, H3C 3J7, Montréal (Québec), Canada aut Applied Physics A Springer-Verlag 86/3(2007-03-01), 309-312 0947-8396 86:3<309 2007 86 339 https://doi.org/10.1007/s00339-006-3761-3 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s00339-006-3761-3 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- El-Mellouhi F. Département de Physique and Regroupement Québécois sur les Matériaux de Pointe, Université de Montréal, succ. Centre-ville, C.P. 6128, H3C 3J7, Montréal (Québec), Canada aut NATIONALLICENCE 700 1- Mousseau N. Département de Physique and Regroupement Québécois sur les Matériaux de Pointe, Université de Montréal, succ. Centre-ville, C.P. 6128, H3C 3J7, Montréal (Québec), Canada aut NATIONALLICENCE 773 0- Applied Physics A Springer-Verlag 86/3(2007-03-01), 309-312 0947-8396 86:3<309 2007 86 339 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer