https://doi.org/10.1140/epjb/s10051-023-00562-7
Regular Article - Solid State and Materials
Electronic and magnetic behaviors of Cr and Mn (co)-doped zinc-blende SiC compound
1
LPHE-Modeling and Simulations, Faculty of Sciences, Mohammed V University in Rabat, Rabat, Morocco
2
Science and Technology Team (ESTE), Higher School of Education and Training of El Jadida (ESEF), Chouaib Doukkali University, El Jadida, Morocco
3
Centre of Physics and Mathematics, CPM-Morocco, Mohammed V University in Rabat, Rabat, Morocco
Received:
7
October
2022
Accepted:
21
June
2023
Published online:
14
July
2023
In this study, we have investigated the electronic and magnetic characteristics of doped and co-doped 3D SiC material using the main Korringa–Kohn–Rostoker (KKR) Green’s function technique combined with coherent potential approximation (CPA). Two impurities are considered, namely, chromium (Cr) and manganese (Mn), are considered. Density of state (DOS) calculations show that pure SiC is an N-type semiconductor with a 1.3eV band-gap energy, while substituting Si with Cr/Mn leads to a metallic behavior. Electronic structure calculations also reveal no magnetic order in the pure compounds, consistent with experiments. By comparing the energies of the ferromagnetic and spin-glass states, we have showed that impurities also induce ferromagnetism compounds. Furthermore, for each concentration, the polarization is determined from the density of carriers at the Fermi level. Finally, the Curie temperature () is calculated by the mean-field approach at concentrations near the percolation threshold. In both cases of Cr/Mn dopants, the value of
is found to be greater than ambient temperature.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.