Interaction of A-centers with isovalent impurities in silicon

Chroneos, A. and Londos, C. A. (2010). Interaction of A-centers with isovalent impurities in silicon. Journal of Applied Physics, 107(9), article no. 093518.




An A-center is an oxygen interstitial atom near a lattice vacancy and is one of the most common impurity-defect pairs in Czochralski-grown silicon crystals. In the present study, density functional theory calculations have been used to predict the binding energies of A-centers that are at nearest neighbor (NN) and next NN sites to isovalent impurities (carbon, germanium, and tin) in silicon. Interestingly, we predict that the A-center is more bound in isovalent-doped and, in particular, tin-doped silicon. We calculate that most of the binding energy of these A-centers originates from the interaction between the isovalent atoms and the vacancies.

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