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The interaction of O with 90° partial dislocations in Si is examined using a cluster method with local-density-functional pseudo-potential theory. We consider several states of O at dislocation cores firstly which are normally reconstructed and secondly which contain solitonic reconstructed bonding patterns. This topic has been the subject of a number of experiments by Sumino and his collaborators, and our overall findings support his conclusions.
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Umerski et al. (1993) studied this question.
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