Table 3 Experimental and theoretical comparison.
From: Realization of two-sublattice exchange physics in the triangular lattice compound Ba3Er(BO3)3
Model: Ba-Er-B-O | |||||||||
2a levels (meV): E1 = 4.390, E2 = 12.43, E3 = 22.79, E4 = 34.54, E5 = 49.44, E6 = 55.93, E7 = 57.67 | |||||||||
4b levels (meV): E1 = 4.458, E2 = 12.59, E3 = 22.95, E4 = 34.63, E5 = 49.51, E6 = 55.71, E7 = 57.41 | |||||||||
Position | \({B}_{2}^{0}\) | \({B}_{4}^{0}\) | \({B}_{4}^{3}\) | \({B}_{4}^{-3}\) | \({B}_{6}^{0}\) | \({B}_{6}^{3}\) | \({B}_{6}^{-3}\) | \({B}_{6}^{6}\) | \({B}_{6}^{-6}\) |
2a | 0.293 | −0.000572 | 0.0146 | 0 | 8.30 × 10−7 | 0.0000320 | 0 | 9.91 × 10−6 | 0 |
4b | 0.288 | −0.000578 | 0.0149 | −0.00105 | 9.26 × 10−7 | 0.0000313 | −2.11 × 10−6 | 0.0000103 | −1.45 × 10−6 |
Model: O-only | |||||||||
2a levels (meV): E1 = 0.2322, E2 = 6.977, E3 = 7.440, E4 = 9.200, E5 = 32.44, E6 = 32.53, E7 = 33.10 | |||||||||
4b levels (meV): E1 = 1.156, E2 = 7.748, E3 = 7.973, E4 = 9.796, E5 = 33.35, E6 = 33.50, E7 = 33.94 | |||||||||
Position | \({B}_{2}^{0}\) | \({B}_{4}^{0}\) | \({B}_{4}^{3}\) | \({B}_{4}^{-3}\) | \({B}_{6}^{0}\) | \({B}_{6}^{3}\) | \({B}_{6}^{-3}\) | \({B}_{6}^{6}\) | \({B}_{6}^{-6}\) |
2a | 0.0190 | −0.000688 | 0.0187 | 0 | 1.23 × 10−6 | 0.0000350 | 0 | 0.0000150 | 0 |
4b | 0.00511 | −0.000696 | 0.0190 | −0.00126 | 1.34 × 10−6 | 0.0000343 | −2.36 × 10−6 | 0.0000154 | −2.03 × 10−6 |
Model: O-only, with radial factor γ = 1.1 | |||||||||
2a levels (meV): E1 = 0.7997, E2 = 9.299, E3 = 9.832, E4 = 11.39, E5 = 42.19, E6 = 42.70, E7 = 43.42 | |||||||||
4b levels (meV): E1 = 1.818, E2 = 10.22, E3 = 10.53, E4 = 12.08, E5 = 43.31, E6 = 43.90, E7 = 44.49 | |||||||||
Position | \({B}_{2}^{0}\) | \({B}_{4}^{0}\) | \({B}_{4}^{3}\) | \({B}_{4}^{-3}\) | \({B}_{6}^{0}\) | \({B}_{6}^{3}\) | \({B}_{6}^{-3}\) | \({B}_{6}^{6}\) | \({B}_{6}^{-6}\) |
2a | 0.0215 | −0.000893 | 0.0243 | 0 | 1.80 × 10−6 | 0.0000512 | 0 | 0.0000220 | 0 |
4b | 0.00579 | −0.000904 | 0.0246 | −0.00163 | 1.96 × 10−6 | 0.0000502 | −3.46 × 10−6 | 0.0000226 | −2.96 × 10−6 |
Direct fit to neutron data | |||||||||
2a levels (meV): E1 = 0.850, E2 = 9.70, E3 = 10.91, E4 = 12.55, E5 = 45.11, E6 = 45.48, E7 = 46.34 | |||||||||
4b levels (meV): E1 = 1.850, E2 = 10.25, E3 = 12.50, E4 = 13.32, E5 = 48.22, E6 = 49.65, E7 = 50.39 | |||||||||
Position | \({B}_{2}^{0}\) | \({B}_{4}^{0}\) | \({B}_{4}^{3}\) | \({B}_{4}^{-3}\) | \({B}_{6}^{0}\) | \({B}_{6}^{3}\) | \({B}_{6}^{-3}\) | \({B}_{6}^{6}\) | \({B}_{6}^{-6}\) |
2a | 0.0186 | −0.000910 | 0.02639 | 0 | 1.77 × 10−6 | 0.0000510 | 0 | 0.0000242 | 0 |
4b | 0.00759 | −0.001039 | −0.002126 | −0.02638 | 2.402 × 10−6 | −4.908 × 10−6 | −0.0000684 | −2.772 × 10−6 | −3.931 × 10−7 |
