Fig. 3: Phase transition mechanisms in KNN-based ceramics deduced from Big-box modeling.

Projected distribution statistics of a–c B-site and d–f A-site ions in KNN, KNN-0.06Li, and KNN-0.06BNZ. The arrow indicates the atomic displacement in the local structure, and hand-marked arrow indicates the atomic displacement in the average structure. The corresponding 2-D view is shown in Fig. S22.