Increased room temperature ferromagnetism in Co-doped tetrahedral perovskite niobates

Dilute magnetic semiconductors (DMSs), such as (In, Mn)As and (Ga, Mn)As prototypes, are limited to III-V semiconductors with Curie temperatures (T c) far from room temperature, thereby hindering their wide application. Here, one kind of DMS based on perovskite niobates is reported. BaM x Nb (1-x) O 3-δ (M = Fe, Co) powders are prepared by the composite-hydroxide-mediated method. The addition of M elements endows BaM x Nb (1-x) O 3-δ with local ferromagnetism. The tetragonal BaCo x Nb (1-x) O 3-δ nanocrystals can be obtained by Co doping, which shows strong saturation magnetization (M sat) of 2.22 emu g -1, a remnant magnetization (M r) of 0.084 emu g -1 and a small coercive field (H c) of 167.02 Oe at room temperature. The ab initio calculations indicate that Co doping could lead to a 64% local spin polarization at the Fermi level (E F) with net spin DOS of 0.89 electrons eV -1, this result shows the possibility of maintaining strong ferromagnetism at room temperature. In addition, the trade-off effect between the defect band absorption and ferromagnetic properties of BaM x Nb (1-x) O 3-δ is verified experimentally and theoretically.