Interstitial boron defects in Si

J Adey, JP Goss, R Jones and PR Briddon
Physica B

A theoretical investigation is made into the structure and properties of complexes formed between boron and other common impurities in Si, namely hydrogen, oxygen and carbon. Particular emphasis is placed on identifying the centres with those observed experimentally. It is shown that BiBs, an electrically inert defect that can be identified with the infrared absorption Q-centre, can readily bind a hydrogen atom. BiBsH may then be responsible for the Ev+0.51 eV acceptor level seen in irradiated Si that contains hydrogen. BiOi has a (0/+) level close to Ec−0.23 eV and may be detected after the loss of Bi. The anneal of BiOi can lead to the formation of BiCs which is stable to similar to 400°C and has a level near Ev+0.29 eV.

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