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Hyperfine Interactions in Dangling-Bond Defects

  • Michael Cook (a1) and C.T. White (a1)


In a recent theoretical study of the Pb center at the Si(lll)/SiO2 interface, 1,2 we pointed out the importance of spin-polarization effects for the accurate theoretical description of ESR hyperfine interactions. The small superhyperfine tensor in the Pb center, for example, could not have been definitely assigned to a subset of the second neighbors of the defect atom rather than its nearest neighbors without an explicit consideration of spin polarization effects.



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