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- 1. Phys. Rev. B 75, 115205 (2007) , “Stability of I3 complexes in III-V compound semiconductors by tight-binding molecular dynamics”, G. Zollo and F. GalaIntrinsic interstitials in GaAs are known to have a large formation energy that makes their concentration almost negligible in as-grown materials. However, interstitials must be explicitly considered in implanted GaAs where collision cascades, induced by the energetic ions, produce a large amount of... (Read more)
- 2. Appl. Phys. Lett. 89, 061903 (2006) , “Nitrogen related vacancies in GaAs based quantum well superlattices”, J. Slotte, K. Saarinen, E.-M. Pavelescu, T. Hakkarainen, and M. PessaThe authors report on the influence of nitrogen incorporation on vacancies in GaAs based superlattices. The samples were molecular beam epitaxy grown on p-type GaAs substrates with the superlattice structure consisting of ten periods of quantum well material separated by GaAs buffers. Three... (Read more)
- 3. J. Appl. Phys. 100, 083521 (2006) , “Thermally activated charge reversibility of gallium vacancies in GaAs”, Fedwa El-Mellouhi, Norm, and MousseauThe dominant charge state for the Ga vacancy in GaAs has been the subject of a long debate, with experiments suggesting −1, −2, or −3 as the best answer. We revisit this problem using ab initio calculations to compute the effects of temperature on the Gibbs free energy of... (Read more)
- 4. Phys. Rev. B 74, 205207 (2006) , “Charge-dependent migration pathways for the Ga vacancy in GaAs”, Fedwa El-Mellouhi, Norm, and MousseauUsing a combination of the local-basis ab initio program SIESTA and the activation-relaxation technique we study the diffusion mechanisms of the gallium vacancy in GaAs. Vacancies are found to diffuse to the second neighbor using two different mechanisms, as well as to the first and fourth... (Read more)
- 5. Phys. Rev. Lett. 97, 226401 (2006) , “Quasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110)”, Magnus Hedström, Arno Schindlmayr, Günther Schwarz, and Matthias SchefflerWe propose a new method for calculating optical defect levels and thermodynamic charge-transition levels of point defects in semiconductors, which includes quasiparticle corrections to the Kohn-Sham eigenvalues of density-functional theory. Its applicability is demonstrated for anion vacancies at... (Read more)
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Updated at 2010-07-20 16:50:39
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