Inorganic Chemistry, Vol.60, No.5, 3232-3237, 2021
An Intriguing Polarization Configuration of Mixed Ising- and Neel-Type Model in the Prototype PbZrO3-Based Antiferroelectrics
Antiferroelectrics are of great academic and technological interest due to their excellent strain and energy storage properties, while the incommensurate modulation-related complex configuration of polarization remains unclear. In this study, an intriguing polarization configuration of mixed Ising- and Neel-type has been established in the prototype PbZrO3-based antiferroelectric materials via the combination of high-resolution synchrotron X-ray and neutron diffraction investigations. Such unusual polarization configuration of antiferroelectrics shows the internal coupling, which mainly contributes from the displacement of the A-site and the distortion of the AO(12) and BO6 polyhedra. The electric dipole oscillates in the (001)(p) plane, and its magnitude and direction show obvious modulation characteristics resulting in a neither antiparallel nor fully compensated polarization configuration, which is completely different from the traditional view of antiferroelectricity. There is an antiferroelectric feature alon the [110](p) direction, while there is a ferrielectric one along the [110](p) direction in which the net polarization can reach 12 mu C/cm(2). The maximum local polarization can reach 4.3 mu C/cm(2) in the [110](p) direction and 27.6 mu C/cm(2) in the [110](p) direction. This work will be very helpful for the development of antiferroelectric theories and the design of novel energy storage materials.