Electronic structure of the Si:O sub(4) complex as related to the thermal donors in silicon

• Published in: Applied physics letters Vol. 47; no. 8; pp. 824 - 826
• Main Authors: Gomes, V M S, Leite, J R
• Format: Journal Article
• Language: English
• Published: 01-01-1985
• ISSN: 0003-6951

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. The authors calculations indicate that four oxygen impurities in T sub(d) 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, D sub(2d), remove the impurity levels from the gap.