The magnetic and hyperfine properties of iron in silicon carbide |
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Authors: | M Elzain S H Al-Harthi A Gismelseed A Al-Rawas A Yousif H Widatallah M Al-Barwani |
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Institution: | 1. Department of Physics, Sultan Qaboos University, Box 36, Al Khod 123, Muscat, Oman 2. NYU Abu Dhabi, Box 129188, Abu Dhabi, United Arab Emirates
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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, Fe C , and silicon, Fe Si , sites as well as at the tetrahedral interstitial sites with four nearest neighbours carbon atoms, Fe I (C), and four nearest neighbours silicon atoms, Fe I (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. |
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