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Identification of Chalcogen Defects in Silicon

Published online by Cambridge University Press:  28 February 2011

Franz Beeler ,
Matthias Scheffler ,
Ove Jepsen  and
Olle Gunnarsson
Franz Beeler
Affiliation:
Max-Planck-Institut für Festkörperforschung D-7000 Stuttgart 80, Federal Republic of Germany
Matthias Scheffler
Affiliation:
Physikalisch-Technische Bundesanstalt, PF 3345, D-3300 Braunschweig, Federal Republic of Germany
Ove Jepsen
Affiliation:
Max-Planck-Institut für Festkörperforschung D-7000 Stuttgart 80, Federal Republic of Germany
Olle Gunnarsson
Affiliation:
Max-Planck-Institut für Festkörperforschung D-7000 Stuttgart 80, Federal Republic of Germany
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Abstract

We show how self-consistent total-energy calculations can be used to identify the position of defects in semiconductors. Despite intensive experimental research on S, Se and Te point defects in Si, it has remained unclear whether these impurities occupy substitutional or Td-interstitial sites. Our Green-function total-energy calculations show that the substitutional site is favored by several eV and therefore the stable defect position is identified as substitutional. We further consider the formation energies of distant defect pairs consisting of a substitutional chalcogen and a Si self-interstitial and we study the reaction where the two constituents change places.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 46: Symposium B – Microscopic Identification of Electronic Defects in Semiconductors , 1985 , 117
Copyright
Copyright © Materials Research Society 1985

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References

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