Reconfigurations and diffusion of trivacancy in silicon

Markevich, VP; Peaker, AR; Hamilton, B; Lastovskii, SB; Murin, LI; Coutinho, J; Markevich, AV; Rayson, MJ; Briddon, PR; Svensson, BG

doi:10.1016/j.physb.2011.08.001

Reconfigurations and diffusion of trivacancy in silicon

Lookup NU author(s): Dr Jose Coutinho, Dr Mark Rayson, Professor Patrick Briddon

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Abstract

Disappearance of the divacancy (V-2) and trivacancy (V-3) complexes upon isochronal and isothermal annealing of electron irradiated Si:O crystals has been studied by means of deep level transient spectroscopy. The annealing studies have shown that the V-2 and V-3 defects are mobile in Si at T > 200 degrees C and in oxygen-rich material are trapped by interstitial oxygen atoms so resulting in the appearance of V2O and V3O defects. The activation energies for diffusion of the V-2 and V-3 centers have been determined. Density functional modeling calculations have been carried out to investigate the migration and reorientation mechanisms of V-3 in large silicon supercells. It is proposed that these comprise a sequence of transformations between V-3(D-3) and V-3(C-2) configurations. (C) 2011 Elsevier B.V. All rights reserved.