We performed a first-principles study on the magnetism and electronic character of rutile mediated by oxygen vacancies (OVs) and codopant. The results show the magnetic interaction between Fe ions is a ferromagnetic (FM) superexchange nature, while the presence of OV makes it turn to an antiferromagnetic behavior. It is found when the system is codoped with oppositely charged P, the interactions are rehabilitated to FM coupling. The electronic structure analysis reveals that this is principally attributed to the hybridizations between P and Fe, which finally activate a long-ranged FM interaction between the Fe ions, and substantially facilitate the electron transport.
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