Fig. 4: Ab-initio-computed multi-orbital Hubbard model parameters across the RuX3 family. | npj Quantum Materials

Fig. 4: Ab-initio-computed multi-orbital Hubbard model parameters across the RuX3 family.

From: Electronic and magnetic properties of the RuX3 (X = Cl, Br, I) family: two siblings—and a cousin?

Fig. 4: Ab-initio-computed multi-orbital Hubbard model parameters across the RuX3 family.

a cRPA results for the orbitally averaged on-site Hubbard interaction (Uavg), Hund's coupling (Javg), and the nearest-neighbor Vavg coupling. b Absolute magnitude of hopping parameters t1 = t(yz, yz), t2 = t(xz, yz), t3 = t(xy, xy), and \(\tilde{t}={t}_{(xy,{z}^{2})}\) on nearest-neighbor (NN), second-neighbor (2NN), and third-neighbor (3NN) Z-bonds.

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