Native defects and self-diffusion in GaSb

M. Hakala, M.J. Puska, R.M. Nieminen

Research output: Contribution to journalArticleScientificpeer-review

78 Citations (Scopus)
115 Downloads (Pure)


The native defects in GaSb have been studied with first-principles total-energy calculations. We report the structures and the formation energies of the stable defects and estimate the defect concentrations under different growth conditions. The most important native defect is the GaSb antisite, which acts as an acceptor. The other important defects are the acceptor-type Ga vacancy and the donor-type Ga interstitial. The Sb vacancies and interstitials are found to have much higher formation energies. A metastable state is observed for the SbGa antisite. The significantly larger concentrations of the Ga vacancies and interstitials compared to the corresponding Sb defects is in accordance with the asymmetric self-diffusion behavior in GaSb. The data supports the next-nearest-neighbor model for the self-diffusion, in which the migration occurs independently in the different sublattices. Self-diffusion is dominated by moving Ga atoms.
Original languageEnglish
Pages (from-to)4988-4994
Number of pages9
JournalJournal of Applied Physics
Issue number8
Publication statusPublished - 2002
MoE publication typeA1 Journal article-refereed


  • diffusion
  • III-V semiconductors
  • point defects


Dive into the research topics of 'Native defects and self-diffusion in GaSb'. Together they form a unique fingerprint.

Cite this