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Electronic-Structure Calculation of 3d Transition-Metal Point Defects in Silicon

Published online by Cambridge University Press:  28 February 2011

Franz Beeler ,
Ole K. Andersen  and
Matthias Scheffler
Franz Beeler
Affiliation:
Max-Planck Institut für Festkörperforschung, D-7000 Stuttgart 80, Federal Republic of Germany
Ole K. Andersen
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
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Abstract

The states of lowest energy have been calculated for iron-group (3d) transition-metal impurities in silicon. The donor and acceptor levels reproduce all experimentally observed transitions and trends. The theory predicts that the ground states of the early 3d interstitials and late 3d substitutionals have low spin. This is in conflict with the generally accepted model of Ludwig and Woodbury, if applied to these impurities, but not with existing experiments.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 46: Symposium B – Microscopic Identification of Electronic Defects in Semiconductors , 1985 , 129
Copyright
Copyright © Materials Research Society 1985

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