Three-site charge-transfer superexchange

ID: three-site-charge-transfer-superexchange

In a minimal hole description of a metal–ligand–metal path, two holes initially occupy separate metal orbitals and the ligand has no hole. Creating a virtual ligand hole costs a charge-transfer energy . Two hops generate an effective metal–metal hopping of order ; two more hops through metal double occupancy generate the antiferromagnetic scale in the title. Ligand double occupancy adds a channel with denominator . Orbital geometry and intra-atomic exchange determine when the antiferromagnetic channel dominates.

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