Abstract
We report density-functional calculations using the full-potential linearized muffin-tin orbital method on early first row transition-metal-doped silicon carbide in cubic $(3C)$ and hexagonal $(4H)$ polytypes. The transition energy levels in the gap for Ti, V, and Cr are compared with the available deep level transient spectroscopy and photoluminescence experiments. Our calculation shows that the Ti impurity is active for $4H$ but not for $3C$, while V and Cr impurities are active for both polytypes. The magnetic interactions are very different for Cr and Mn. Cr shows a very local exchange interaction that decays rapidly after second nearest neighbors, which is similar for different polytypes and different sites. The exchange interaction for Mn is quite long range and is very sensitive to the location of the Mn pairs.
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