New Publication in J. Mater. Chem. A

We are pleased to announce that our latest research paper has been accepted for publication in J. Mater. Chem. A. In this work, we propose an approach that directly identifies the polar structure after polarization switching, using the symmetry operations of the framework structure. The spontaneous polarization and switching barrier can be determined from the initial and final polar structures. Utilizing this approach, we conduct a high-throughput screening workflow to discover promising ferroelectrics from structures in the Materials Project database. The workflow leads to the identification of 74 structures that have spontaneous polarization and switching barrier comparable to known ferroelectrics. This simple yet effective approach not only yields promising ferroelectric materials for future experimental validation, but also displays the potential to discover other types of ferroelectric materials, such as antiferroelectrics and two-dimensional ferroelectrics.