Ab initio characterization of arsenic vacancy diffusion pathways in GaAs with SIEST-A-RT

Fadwa El-Mellouhi, N. Mousseau

Research output: Contribution to journalArticle

8 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)309-312
Number of pages4
JournalApplied Physics A: Materials Science and Processing
Issue number3
Publication statusPublished - 1 Mar 2007
Externally publishedYes


ASJC Scopus subject areas

  • Materials Science(all)
  • Physics and Astronomy (miscellaneous)

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