Native defects and nonmetal doping have been shown to be an effective way to optimize the photocatalytic properties of Bi2WO6. However, a detailed understanding of defect physics in Bi2WO6 has been lacking. Here, using the Heyd–Scuseria–Ernzerhof hybrid functional defect calculations, we study the formation energies, electronic structures, and optical properties of native defects and nonmetal element (C, N, S, and P) doping into Bi2WO6. We find that the Bi vacancy (Bivac), O vacancy (Ovac), S doping on the O site (SO), and N doping on the O site (NO) defects in the Bi2WO6 can be stable depending on the Fermi level and chemical potentials. By contrast, the substitution of an O atom by a C or P atom (CO, PO) has high formation energy and is unlikely to form. The calculated electronic structures of the Bivac, Ovac, SO, and NO defects indicate that the band-gap reduction of Ovac 2+, Bivac 3–, and SO defects is mainly due to forming shallow impurity levels within the band gap. The calculated absorption coefficients of Ovac 2+, Bivac 3–, and SO show strong absorption in the visible light region, which is in good agreement with the experimental results. Hence, Ovac 2+, Bivac 3–, and SO defects can improve the adsorption capacity of Bi2WO6, which helps enhance its photocatalytic performance. Our results provide insights into how to enhance the photocatalytic activity of Bi2WO6 for energy and environmental applications through the rational design of defect-controlled synthesis conditions.

Skyrmions are promising for the next generation of spintronic devices, which involves the production and transfer of skyrmions. The creation of skyrmions can be realized by a magnetic field, electric field, or electric current while the controllable transfer of skyrmions is hindered by the skyrmion Hall effect. Here, we propose utilizing the interlayer exchange coupling induced by the Ruderman–Kittel–Kasuya–Yoshida interactions to create skyrmions through hybrid ferromagnet/synthetic antiferromagnet structures. An initial skyrmion in ferromagnetic regions could create a mirroring skyrmion with an opposite topological charge in antiferromagnetic regions driven by the current. Furthermore, the created skyrmions could be transferred in synthetic antiferromagnets without deviations away from the main trajectories due to the suppression of the skyrmion Hall effect in comparison to the transfer of the skyrmion in ferromagnets. The interlayer exchange coupling can be tuned, and the mirrored skyrmions can be separated when they reach the desired locations. Using this approach, the antiferromagnetic coupled skyrmions can be repeatedly created in hybrid ferromagnet/synthetic antiferromagnet structures. Our work not only supplies a highly efficient approach to create isolated skyrmions and correct the errors in the process of skyrmion transport, but also paves the way to a vital information writing technique based on the motion of skyrmions for skyrmion-based data storage and logic devices.