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.

Local magnetism in MnSiPt rules the chemical bond

Among intermetallic compounds, ternary phases with the simple stoichiometric ratio 1:1:1 form one of the largest families. More than 15 structural patterns have been observed for several hundred compounds constituting this group. This, on first glance unexpected, finding is a consequence of the complex mechanism of chemical bonding in intermetallic structures, allowing for large diversity. Their formation process can be understood based on a hierarchy of energy scales: The main share is contributed by covalent and ionic interactions in accordance with the electronic needs of the participating elements. However, smaller additional atomic interactions may still tip the scales. Here, we demonstrate that the local spin polarization of paramagnetic manganese in the new compound MnSiPt rules the adopted TiNiSi-type crystal structure. Combining a thorough experimental characterization with a theoretical analysis of the energy landscape and the chemical bonding of MnSiPt, we show that the paramagnetism of the Mn atoms suppresses the formation of Mn–Mn bonds, deciding between competing crystal structures.