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. 2020 Nov 9;7(24):2001174. doi: 10.1002/advs.202001174

Table 1.

Net moments and energies for vanadium dopant pairs. The energies are relative to that of the pair at the nearest distance. Dopant pairs are labeled by their separation in lattice coordinates and colored in reference to the supercell in Figure 3. Systems were initialized with either parallel or anti‐parallel local moments around the two dopants. Moments after self‐consistent iterations are perpendicular to the plane except for the (0, 2) separation, which is 76° away from this axis. For the closest and next‐closest dopant separations (★), the lowest energy state examined has no spatially resolvable spin texture. “—” means that both parallel and anti‐parallel initial spin textures converge to the same self‐consistent state

Dopant pair in lattice coordinates Pair separation [Å] Energy of the most stable spin texture [meV] Net magnetic moment [μB] Energy of competing spin texture [meV] Moment of competing spin texture [μB]
−1, 0 3.19 0 (★) 0.00
1, 1 5.52 63.9 (★) 0.00 67.5 (⇈) 0.14
0, 2 6.38 48.2 (⇈) 0.93
1, 2 8.44 71.1 (⇈) 1.18 84.4 (⇅) 0.00
0, 3 9.57 86.8 (⇈) 1.22 95.4 (⇅) 0.03
2, 2 11.02 88.8 (⇈) 1.24 93.6 (⇅) 0.07
1, 3 11.49 86.5 (⇈) 1.23 93.9 (⇅) 0.11