Combined experimental and theoretical investigation on modulation of multiferroic properties in BiFeO3 ceramics induced by Dy and transition metals co-doping

Multiferroic Dy and transition metals (Cr, Mn, Ni) co-doped BiFeO3 ceramics were successfully synthesized by a solid-state method, and the influence on the magnetic and ferroelectric properties were investigated. Compared with Bi0.95Dy0.05Fe0.95Mn0.05O3, Bi0.95Dy0.05Fe0.95Cr0.05O3 and Bi0.95Dy0.05Fe0.95Ni0.05O3 ceramics can significantly improve the magnetic properties. The significant enhancement of magnetic properties should be related to the local ferromagnetic coupling from Cr ions (Ni ions) and Fe ions, which have already been proved by first-principles calculations. Meanwhile, both experimental and theoretical studies reveal the Dy substitution can effectively enhance the ferroelectric properties of BiFeO3. Leakage current and conduction mechanism analyses reveal that the improved ferroelectric properties are mainly attributed to the reduced oxygen vacancies. (C) 2019 Elsevier B.V. All rights reserved.