Table 1 The total spontaneous polarization (C/m2) and its components from displacements of the constituent species as calculated from the refined atomic coordinates and Born effective charges33,34. The uncertainty, which has been estimated using a series of refined configurations for each composition, is in the third decimal place.
From: Coupling of emergent octahedral rotations to polarization in (K,Na)NbO3 ferroelectrics
x | Total | Nb | K | Na | O |
|---|---|---|---|---|---|
0 | 0.38 | 0.34 | 0.03 | 0.013 | |
0.47 | 0.41 | 0.36 | 0.02 | 0.03 | 0.001 |
0.53 | 0.40 | 0.35 | 0.01 | 0.03 | 0.002 |
0.58 | 0.39 | 0.34 | 0.01 | 0.04 | 0.003 |
