Table 2 Hopping parameters for the One-UC slab model of La3Ni2O7 thin films
From: Electronic structures and multi-orbital models of La3Ni2O7 thin films at ambient pressure
Index | Layer | i | j | \({t}_{[ij]}^{x}\) | \({t}_{[ij]}^{z}\) | \({t}_{[ij]}^{xz}\) |
|---|---|---|---|---|---|---|
Stack 1 | A | 0 | 0 | 0.844(0.776) | 0.519(0.409) | 0.000 |
1 | 0 | −0.462(−0.483) | −0.134(−0.110) | 0.228(0.239) | ||
1 | 1 | 0.075(0.069) | −0.021(−0.017) | 0.000 | ||
2 | 0 | −0.053 | −0.008 | 0.017 | ||
3 | 0 | −0.013 | −0.003 | 0.000 | ||
B | 0 | 0 | 0.918 | 0.344 | 0.000 | |
1 | 0 | −0.460 | −0.083 | 0.201 | ||
1 | 1 | 0.075 | −0.015 | 0.000 | ||
2 | 0 | −0.055 | −0.013 | 0.023 | ||
3 | 0 | −0.012 | −0.002 | 0.000 | ||
AB | 0 | 0 | 0.005 (0.005) | −0.550 (−0.635) | 0.000 | |
1 | 0 | −0.000 | 0.020 | −0.031 (−0.034) | ||
Stack 2 | A | 0 | 0 | 0.918 | 0.344 | 0.000 |
1 | 0 | −0.460 | −0.083 | 0.201 | ||
1 | 1 | 0.075 | −0.015 | 0.000 | ||
2 | 0 | −0.055 | −0.013 | 0.023 | ||
3 | 0 | −0.012 | −0.002 | 0.000 | ||
B | 0 | 0 | 0.844 | 0.519 | 0.000 | |
1 | 0 | −0.462 | −0.134 | 0.228 | ||
1 | 1 | 0.075 | −0.021 | 0.000 | ||
2 | 0 | −0.053 | −0.008 | 0.017 | ||
3 | 0 | −0.013 | −0.003 | 0.000 | ||
AB | 0 | 0 | 0.005 | −0.550 | 0.000 | |
1 | 0 | 0.000 | 0.020 | −0.029 |
