Abstract
The ability of intrinsic defects in SiO2 to capture electrons and holes is investigated by quantum-chemical methods. It is established that a twofold-coordinated silicon atom with two unpaired electrons, namely, the silylene center =Si:, and a silicon-silicon bond, namely, the oxygen vacancy ≡Si-Si≡, are electron-hole traps in SiO2. The properties of a defect in the form of an associate of the two above centers are studied. It is shown that this defect can capture electrons and holes; i.e., it is an amphoteric defect in SiO2. The optical absorption spectrum of the studied associate virtually coincides with that of the oxy radical \(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \) in silicon dioxide.
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Translated from Fizika Tverdogo Tela, Vol. 46, No. 11, 2004, pp. 1955–1959.
Original Russian Text Copyright © 2004 by Patrakov, Gritsenko, Zhidomirov.
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Patrakov, A.E., Gritsenko, V.A. & Zhidomirov, G.M. Interaction with charge carriers and the optical absorption spectrum of an associate formed by elementary defects (an oxygen vacancy and a silylene center) in SiO2 . Phys. Solid State 46, 2021–2025 (2004). https://doi.org/10.1134/1.1825543
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DOI: https://doi.org/10.1134/1.1825543