Phase structure and electrical properties of BiFeO3–BaTiO3 ceramics near the morphotropic phase boundary

As a promising lead-free high-temperature piezoelectric material, BiFeO3–BaTiO3 (BF-BT) is still under debate on its crystal structure, especially for the compositions in the morphotropic phase boundary (MPB). Herein, the crystal structure of (1-x)BF-xBT ceramics near the MPB with x = 0.20–0.33 was analyzed by X-ray diffraction and Raman spectroscopy. With the addition of BT, the phase transition from distorted rhombohedral to pseudo-cubic structure was determined by Rietveld refinement. Raman analysis showed the weakening interactions between the A-site cations and BO6 octahedron, as well as the degenerated distortions of BO6 octahedron. Intriguingly, the results of X-ray photoelectron spectroscopy suggested the inhibition of Fe3+ reduction and decrease in oxygen vacancy concentration by the incorporation of BT. In terms of the electrical properties, the significant decline in Curie temperature, improvement in permittivity, and reduction in high-temperature dielectric loss can be observed with the increase of BT content. The increased remnant polarization, enhanced dielectric response and decreased coercive field were helpful for the piezoelectric performance. The maximum room-temperature piezoelectric coefficient of ∼160 pC/N and high-temperature piezoelectric coefficient of ∼324 pC/N were acquired in the x = 0.30 ceramics. This work provides a clear scope for further research on the structural transformation and high-temperature piezoelectric applications of BF-BT system.