Electronic structure of the Si:O4 complex as related to the thermal donors in silicon

Gomes, Vivili M. S.; Leite, José R.
October 1985
Applied Physics Letters;10/15/1985, Vol. 47 Issue 8, p824
Academic Journal
Rigorous self-consistent electronic structure calculations were carried out for complexes containing four interstitial oxygen atoms in silicon. The isolated tetrahedral site interstitial oxygen impurity was also investigated and the results were correlated to the complexes formation. Our calculations indicate that four oxygen impurities in Td symmetry surrounding a silicon atom at the regular lattice site are deep acceptor centers. It is also found that distortions which drive the complex to one of the observed symmetries, D2d, remove the impurity levels from the gap. Therefore, we conclude that these complexes do not show thermal donor actions in silicon as has been suggested.


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