Structure of Ge-O complexes in Czochralski silicon

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.