Table 1 Exchange parameters of PbCu3TeO7 determined by the DFT calculation. Jn (n = 1–8) refer to the intralayer exchange constants that appear in Fig. 1c, while Jin (n = 1–4) represent the interlayer ones
From: Magnetic field-induced ferroelectricity in S = 1/2 kagome staircase compound PbCu3TeO7
J 1 | J 2 | J 3 | J 4 | J 5 | J 6 | |
|---|---|---|---|---|---|---|
Cu–Cu distance, Å | 2.901 | 3.066 | 3.264 | 3.287 | 5.433 | 5.616 |
J, meV | -1.6 | 0.45 | 2.9 | 1.7 | 1.1 | 0.72 |
J 7 | J 8 | J i 1 | J i 2 | J i 3 | J i 4 | |
|---|---|---|---|---|---|---|
Cu–Cu distance, Å | 6.353 | 6.696 | 5.918 | 6.117 | 6.278 | 6.279 |
J, meV | 2.77 | 1.3 | 2.5 | 0.2 | 0.05 | -3.3 |
