Silicon-interstitial–oxygen-interstitial complex as a model of the 450°C oxygen thermal donor in silicon

Abstract
The complex of a divalent silicon interstitial and a pair of adjacent oxygen intersitials is proposed as the core of the 450 °C oxygen thermal donor in silicon. The proposal is supported by theoretical calculations which suggest that this complex is stable relative to a self-interstitial and two separated oxygen interstitials, and that it has a doubly occupied level close to the computed conduction-band edge. The calculated spin distribution is in qualitative agreement with the one found experimentally for the NL8 center.