Sharp/diffuse antiferroelectric-ferroelectric phase transition regulated by atomic displacement ordering

It is the behavior of electric-field induced antiferroelectric to ferroelectric (AFE-FE) phase transition that determines the specific application scenario of antiferroelectric materials. Here, we report that the evolution of the atomic displacement ordering from full-ordered to semi-ordered modulation should be responsible for the change in the behavior of the AFE-FE transition from sharp to diffuse. The novel semi-ordered configuration is originated from the competing interaction between long-range displacement modulation and compositional inhomogeneity, which just makes the AFE-FE transition diffuse but maintains the switching field. These results provide atomicscale understanding for AFE-FE transition and new insights for designing hysteresis-free antiferroelectric materials.

Automated summary

This study investigates the behavior of electric-field induced antiferroelectric to ferroelectric (AFE-FE) phase transition and reveals the evolution of atomic displacement ordering as the cause for the transition behavior changing from sharp to diffuse. The novel semi-ordered configuration results from the competing interaction between long-range displacement modulation and compositional inhomogeneity, which leads to a diffuse AFE-FE transition while maintaining the switching field.