We reveal that concurrent events of inherent entropy boosting and increased synchronization between $A$- and $B$-site cation vibrations of an $AB{\mathrm{O}}_3$-type perovskite structure give rise to a larger piezoelectric response in a ferroelectric system at its morphotropic phase boundary (MPB). It is further evident that the superior piezoelectric properties of $x{\mathrm{BiNi}}_{0.5}{\mathrm{Zr}}_{0.5}{\mathrm{O}}_3\text{−}(1\text{−}x){\mathrm{PbTiO}}_3$ in comparison to $x{\mathrm{BiNi}}_{0.5}{\mathrm{Ti}}_{0.5}{\mathrm{O}}_3\text{−}(1\text{−}x){\mathrm{PbTiO}}_3$ are due to the absolute flattening of the local potentials for all ferroelectrically active cations with a higher spontaneous polarization at the MPB. These distinctive features are discovered from the analyses of neutron pair distribution functions and Raman scattering data at ambient conditions, which are particularly sensitive to mesoscopic-scale structural correlations. Altogether this uncovers more fundamental structure-property connections for ferroelectric systems exhibiting a MPB, and thereby has a critical impact in contriving efficient novel materials.

中文翻译：

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xBiNi0.5Zr0.5O3-（1-x）PbTiO3的形变相界处的静态和动态现象的同时存在

我们揭示了内在熵增强和同步之间增加同步的并发事件 $\mathrm{一个}$- 和 $乙$的现场阳离子振动 $\mathrm{一个}乙{\mathrm{Ø}}_3$型钙钛矿结构在铁电体系中的变质相界（MPB）处产生较大的压电响应。进一步明显的是，$X{\mathrm{碧妮}}_{0.5}{锆}_{0.5}{\mathrm{Ø}}_3\text{-}（\mathrm{1个}\text{-}X）{\mathrm{钛酸铅}}_3$ 相较于 $X{\mathrm{碧妮}}_{0.5}{钛}_{0.5}{\mathrm{Ø}}_3\text{-}（\mathrm{1个}\text{-}X）{\mathrm{钛酸铅}}_3$这是由于MPB处所有具有较高自发极化的铁电活性阳离子的局部电势绝对平坦所致。这些独特的特征是通过对环境条件下的中子对分布函数和拉曼散射数据的分析发现的，这些特征对介观尺度的结构相关性特别敏感。总而言之，这揭示了用于具有MPB的铁电系统的更基本的结构-特性连接，从而在构造有效的新型材料方面具有关键性的影响。