Enhanced strain of (Ba, Ca)(Ti, Zr, Sn)O3 ferroelectrics with multiphase polar nanoregions coexistence and BO6 octahedral rotation

Abstract

The cation displacement closely related to the local symmetry and corner-connected oxygen octahedral rotation are the structural origin of macroscopic properties in ABO3 perovskite oxides. This work describes in detail the relationship between microstructure and macroscopic properties in 0.78BT-0.12CT-0.1BZS ceramic, which achieves the enhanced strain of 0.19 % with a hysteresis of 6.56 %. The atomic level structure is revealed by aberration corrected scanning transmission electron microscope (AC-STEM). The AC-STEM HAADF images reveal the coexisting of polar nanoregions with O and T symmetries. Such a microstructure has a lower energy barrier, facilitating dynamic polarization rotation flexibly under external stimuli. The AC-STEM ABF image reveals the existence of the BO6 octahedral rotation, with rotation patterns of the a0b0c0 and a-b+c-, and rotation angles are quantitatively measured. The BO6 octahedral rotation and cation displacement are found to be consistent, the greater octahedral rotation with greater cation displacements. These results have important implications for understanding the structural origin of the excellent properties in ferroelectrics.