The influence of Mn, Fe, Si vacancies and Al-doped 4H–SiC on the electronic structures and magnetic properties are studied by first principles calculations. The results indicate both Mn and Fe monodoped can induce magnetism. Additionally, the phenomenon of ferromagnetism is observed in (Mn, Fe)-codoped 4H–SiC system, mainly contributed by Mn and Fe atoms. The ferromagnetic mechanism is that C atoms act as a medium between Mn atom and Fe atom, forming a Mn–C–Si–C–Fe coupling chain. The Si vacancies have a weaker effect on inducing ferromagnetism and Al atom doped has no obvious effect on the magnetic properties. Our study provides an effective method of tuning magnetism in 4H–SiC.
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This work was supported by the Innovation Scientists and Technicians Troop Construction Projects of Henan Province (CXTD2017089), the Natural Science Foundation of Henan Province (162300410116, 182300410288), the Science and Technology of Henan Province (182102210305), the Henan Postdoctoral Science Foundation and the Program for Innovative Research Team of Henan Polytechnic University (No. T2016-2). This work was also sponsored by Key Projects of Natural Science Foundation of Liaoning and Doctor Start-up Fund of Liaoning under Grant No. 20170520155. Computational resources have been provided by the Henan Polytechnic University high-performance grid computing platform.
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Liang, T., Zhu, L., Liu, X. et al. Ferromagnetism induced by (Mn, Fe) co-doped 4H–SiC. J Mater Sci: Mater Electron 32, 2999–3005 (2021). https://doi.org/10.1007/s10854-020-05051-6