supplementary materials for "Influence of Sc, Y, and B Dopants on Structural Distortions and Polarization Switching in AlN-Based Ferroelectrics"

The Supporting Information contains three figures along with their corresponding descriptions, which supplement the content of the main manuscript. Figure S1 presents a comparative analysis between calculated coercive fields and experimental values. Figure S2 shows high-detail NEB results revealing the polarization switching pathway of a single atom. Figure S3 displays the transition structures during polarization reversal for AlN systems with different dopant elements and concentrations, exhibiting characteristic features of the β-BeO structure.