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Theory Of 3d Transition Metal Defects In 3C SiC

Published online by Cambridge University Press:  15 February 2011

Harald Overhof
Harald Overhof*
Affiliation:
Fachbereich Physik, Universität-GH Paderborn, D-33098 Paderborn, Federal Republic of Germany, foverl@pbhrzc.uni-paderborn.de
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Abstract

The electronic properties of 3d transition metal (TM) defects located on one of the four different tetrahedral positions in 3C SiC are shown to be quite site-dependent. We explain the differences for the 3d TMs on the two substitutional sites within the vacancy model: the difference of the electronic structure between the carbon vacancy VC and the silicon vacancy VSi is responsible for the differences of the 3d TMs. The electronic properties of 3d TMs on the two tetrahedral interstitial sites differ even more: the TMs surrounded tetrahedrally by four Si atoms experience a large crystal field splitting while the tetrahedral C environment does not give rise to a significant crystal field splitting at all. It is only in the latter case that high-spin configurations are predicted.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 442: Symposium E – Defects in Electronic Materials II , 1996 , 637
Copyright
Copyright © Materials Research Society 1997

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