Superexchange,
Abstract:
The theory of superexchange couplings in ionic solids is reviewed using a configuration-interaction approach. A discussion is given of the origin of the Kanamori-Goodenough KG rules taking into account lack of orthogonalization between atomic orbitals. It is shown that this effect can reverse the sign expected from the KG rules. Contact is made with the theory of Anderson, and his potential and kinetic exchange contributions are identified within the configuration interaction picture. The systematics of superexchange interactions are investigated for d3 ions in the chalcogenides, and recent experimental work is cited in support of predictions. Author
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