Abstract
Abstract The structures of Ge–O complexes in germanium-doped Czochralski (CZ) silicon wafers have been investigated by means of density functional theory (DFT). The calculations present the fact that the Ge–O complexes can be formed with the absence of vacancy during low-temperature thermal cycles so that they can enhance oxygen precipitation. Furthermore, the total energy of different Ge–O complexes is calculated, and then optimized and stable structure of Ge–O complexes is suggested.
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