Native defects and self-diffusion in GaSb
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© 2002 American Institute of Physics. This is the accepted version of the following article: Hakala, M. & Puska, M. J. & Nieminen, Risto M. 2002. Native defects and self-diffusion in GaSb. Journal of Applied Physics. Volume 91, Issue 8. 4988-4994. ISSN 0021-8979 (printed). DOI: 10.1063/1.1462844, which has been published in final form at http://scitation.aip.org/content/aip/journal/jap/91/8/10.1063/1.1462844.
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2002
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Degree programme
Language
en
Pages
4988-4994
Series
Journal of Applied Physics, Volume 91, Issue 8
Abstract
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.Description
Keywords
point defects, III-V semiconductors, diffusion
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Citation
Hakala, M. & Puska, M. J. & Nieminen, Risto M. 2002. Native defects and self-diffusion in GaSb. Journal of Applied Physics. Volume 91, Issue 8. 4988-4994. ISSN 0021-8979 (printed). DOI: 10.1063/1.1462844.