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Electronic and Magnetic Properties of Mn-doped and (Mn,C)-codoped w-AlN with the Presence of N Vacancy

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Abstract

In this paper, we discover the structural, electronic, and magnetic properties of Mn-doped (6.25 and 12.5%) and Mn-C-codoped wurtzite AlN with the presence of nitrogen vacancy. These properties have been investigated using density functional theory implemented in Quantum ESPRESSO package. AlN doped and codoped were optimized by using Broyden-Fletcher-Goldfarb-Shanno (BFGS) approximation. The electronic and magnetic properties are determined by the total and partial density of states. The presence of impurities and nitrogen vacancy induces magnetic properties, indicating that these materials are good candidates for electromagnetic and spintronics applications. Our results are in good agreement with experimental and other theoretical studies. We can conclude from this study that this material can be used as diluted magnetic semiconductors.

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Acknowledgments

The authors would like to thank N. Seriani and R. Gebauer for much helpful discussion.

Funding

This work has been supported by URAC: 08, the project PPR2: (MESRSFC-CNRST-Morocco), European Commission H2020 - Research & Innovation (730897 HPC-Europa3), and UKM Research University Grant (UKM-GUP-2017-030).

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Authors and Affiliations

  1. Physics of Materials and Systems Modeling Laboratory (PMSML), Unit Associated at CNRST-URAC: 08, Faculty of Sciences, Moulay Ismail University, B.P. 11201, Zitoune, Meknes, Morocco

    Hassan Ahmoum, Mourad Boughrara & Mohamed Kerouad

  2. Solar Energy Research Institute (SERI), Universiti Kebangsaan Malaysia, 43600, Bangi, Selangor, Malaysia

    Mohd Sukor Su’ait

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  1. Hassan Ahmoum
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  2. Mourad Boughrara
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  3. Mohd Sukor Su’ait
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  4. Mohamed Kerouad
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Correspondence to Hassan Ahmoum or Mourad Boughrara.

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Ahmoum, H., Boughrara, M., Su’ait, M.S. et al. Electronic and Magnetic Properties of Mn-doped and (Mn,C)-codoped w-AlN with the Presence of N Vacancy. J Supercond Nov Magn 32, 3691–3697 (2019). https://doi.org/10.1007/s10948-019-5102-8

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  • DOI: https://doi.org/10.1007/s10948-019-5102-8

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