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The interstitial carbon-oxygen complex is one of the dominant defects produced in electron irradiated Si. In spite of much work, there is no consensus on its structure and a recent model of Trombetta and Watkins seems inconsistent with the lack of strong O-related vibrational modes expected from bond-centered O. Our ab initio cluster calculations reveal very unusual bonding of O in these complexes but yield vibrational modes and isotope shifts which are in reasonable agreement with experiment.
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Jones et al. (1992) studied this question.
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