Model for Mn in 6H-SiC from first-principle studies

M. Al Azri, M. Elzain, K. Bouziane, S. M. Chérif, A. Declémy, L. Thomé

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The electronic and magnetic properties of 6H-SiC with Mn impurities have been calculated using generalized gradient approximation formalism. Various configurations of Mn sites and Si and C vacancies were considered. It was found that 6H-SiC doped with Mn atoms possess a moment for both types of substitution. The Mn atom at Si site possesses larger magnetic moment than Mn atom at C site. The energy levels appearing in the band gap due to vacancies and due to Mn impurities are determined and the calculated densities of states are used to analyze the different values of the magnetic moments for different types of substitution. A model that explains the magnetic moment at Mn site is proposed.

Original languageEnglish
Article number17C305
JournalJournal of Applied Physics
Volume113
Issue number17
DOIs
Publication statusPublished - May 7 2013

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magnetic moments
substitutes
atoms
impurities
energy levels
formalism
magnetic properties
moments
gradients
configurations
approximation
electronics

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Al Azri, M., Elzain, M., Bouziane, K., Chérif, S. M., Declémy, A., & Thomé, L. (2013). Model for Mn in 6H-SiC from first-principle studies. Journal of Applied Physics, 113(17), [17C305]. https://doi.org/10.1063/1.4798481

Model for Mn in 6H-SiC from first-principle studies. / Al Azri, M.; Elzain, M.; Bouziane, K.; Chérif, S. M.; Declémy, A.; Thomé, L.

In: Journal of Applied Physics, Vol. 113, No. 17, 17C305, 07.05.2013.

Research output: Contribution to journalArticle

Al Azri, M, Elzain, M, Bouziane, K, Chérif, SM, Declémy, A & Thomé, L 2013, 'Model for Mn in 6H-SiC from first-principle studies', Journal of Applied Physics, vol. 113, no. 17, 17C305. https://doi.org/10.1063/1.4798481
Al Azri M, Elzain M, Bouziane K, Chérif SM, Declémy A, Thomé L. Model for Mn in 6H-SiC from first-principle studies. Journal of Applied Physics. 2013 May 7;113(17). 17C305. https://doi.org/10.1063/1.4798481
Al Azri, M. ; Elzain, M. ; Bouziane, K. ; Chérif, S. M. ; Declémy, A. ; Thomé, L. / Model for Mn in 6H-SiC from first-principle studies. In: Journal of Applied Physics. 2013 ; Vol. 113, No. 17.
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