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Lookup NU author(s): Professor Patrick Briddon
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The first stage in the anneal of interstitial boron below room temperature in Czochralski-grown Si (Cz-Si) is the formation of the interstitial boron-oxygen (BiOi) defect. First principles modelling show that this defect has a structure similar to the interstitial carbon-oxygen complex. However, whereas the latter defect has been characterized by local vibrational mode infra-red spectroscopy, there is no information on the local vibrational modes of BiOi even though the defect is known to be a dominant interstitial boron defect in irradiated Cz-Si. Here, we carry out density functional calculations to determine its vibrational modes and respective isotope shifts, concluding that it possesses six local vibrational modes. As in the case of CA, we find an oxygen-related vibrational mode with frequency far below the 1136 cm-1 of the oxygen interstitial, characteristic of the three-fold coordinated oxygen. © 2005 IOP Publishing Ltd.
Author(s): Carvalho A, Jones R, Coutinho J, Briddon PR
Publication type: Article
Publication status: Published
Journal: Journal of Physics Condensed Matter
Print publication date: 04/05/2005
ISSN (print): 0953-8984
ISSN (electronic): 1361-648X
Publisher: Institute of Physics Publishing Ltd.
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