Favorable Concurrence of Static and Dynamic Phenomena at the Morphotropic Phase Boundary of xBiNi0.5Zr0.5O3−(1−x)PbTiO3...

We demonstrate that the morphotropic phase boundary of the lead-free ferroelectric system (1-
x)Na0:5Bi0:5TiO3-xBaTiO3 (NBT-xBT) can be uniquely distinguished by a reduced polarization
state along with a non-uniform
attening of the local potential function of A- and B-site cations
of the perovskite-type structure. This establishes a robust structure-property connections based on
the atomic-level structural correlations which elucidates the long-standing question: why the MPB
of NBT-xBT does not excel as much as Pb-based materials do; and further help to develop strategy
in designing ecient lead-free ferroelectric systems.