Signature of intrinsic defects in SiC: Ab initio calculations of hyperfine tensors

Michel Bockstedte, Matthias Heid, and Oleg Pankratov
Phys. Rev. B 67, 193102 – Published 7 May 2003
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Abstract

To reveal the microscopic origin of the spin-resonance centers in 3C- and 4H-SiC, we perform first-principles calculations of the hyperfine tensors for vacancy-related defects and interstitials. The calculations for the silicon vacancy corroborates the earlier experimental identification. The signature of the carbon vacancy in 4H-SiC, in contrast to the silicon vacancy, is found to discriminate between cubic and hexagonal sites. The EI5 center in 4H-SiC can be attributed to a carbon vacancy at the cubic site. The assignment of the T5 center in 3C-SiC to a carbon vacancy or a complex of a carbon vacancy with hydrogen is not supported. The EI6 center in 4H-SiC originally identified as a silicon antisite is not compatible with the HF signature of this defect.

  • Received 26 August 2002

DOI:https://doi.org/10.1103/PhysRevB.67.193102

©2003 American Physical Society

Authors & Affiliations

Michel Bockstedte*, Matthias Heid, and Oleg Pankratov

  • Lehrstuhl für Theoretische Festkörperphysik, Universität Erlangen-Nürnberg, Staudtstrasse 7 B2, D-91058 Erlangen, Germany

  • *Email address: bockstedte@physik.uni-erlangen.de

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Vol. 67, Iss. 19 — 15 May 2003

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