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

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

doi:10.1063/1.4798481

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

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

^*Corresponding author for this work

Physics

Research output: Contribution to journal › Article › peer-review

10 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 language	English
Article number	17C305
Journal	Journal of Applied Physics
Volume	113
Issue number	17
DOIs	https://doi.org/10.1063/1.4798481
Publication status	Published - May 7 2013

ASJC Scopus subject areas

General Physics and Astronomy

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10.1063/1.4798481

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title = "Model for Mn in 6H-SiC from first-principle studies",

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.",

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T1 - Model for Mn in 6H-SiC from first-principle studies

AU - Al Azri, M.

AU - Elzain, M.

AU - Bouziane, K.

AU - Chérif, S. M.

AU - Declémy, A.

AU - Thomé, L.

PY - 2013/5/7

Y1 - 2013/5/7

N2 - 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.

AB - 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.

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DO - 10.1063/1.4798481

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JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 17

M1 - 17C305

ER -

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

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