The magnetic and hyperfine properties of iron in silicon carbide

M. Elzain, S. H. Al-Harthi, A. Gismelseed, A. Al-Rawas, A. Yousif, H. Widatallah, M. Al-Barwani

Research output: Contribution to journalArticlepeer-review


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 languageEnglish (US)
Pages (from-to)281-287
Number of pages7
JournalHyperfine Interactions
Issue number1-3
StatePublished - Apr 2014


  • 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


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