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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