Abstract
The magnetic and hyperfine properties of iron impurities in 3C- and 6H- silicon-carbide are calculated using the abinitio method of full-potential linear-augmented-plane-waves. The iron atoms are introduced at substitutional carbon, FeC, and silicon, FeSi, sites as well as at the tetrahedral interstitial sites with four nearest neighbours carbon atoms, FeI(C), and four nearest neighbours silicon atoms, FeI(Si). The effect of introducing vacancies at the neighbours of these sites is also studied. Fe atoms with complete neighbors substituted at Si or C sites are found to be nonmagnetic, while Fe atoms at interstitial sites are magnetic. Introduction of a vacancy at a neighboring site reverse the picture.
Original language | English (US) |
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Pages (from-to) | 281-287 |
Number of pages | 7 |
Journal | Hyperfine Interactions |
Volume | 226 |
Issue number | 1-3 |
DOIs | |
State | Published - Apr 2014 |
Keywords
- Hyperfine field
- Isomer shift
- Magnetic moment
- Vacancies
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Nuclear and High Energy Physics
- Condensed Matter Physics
- Physical and Theoretical Chemistry