General Theory of Superexchange Interaction

概要

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Mechanisms of superexchange interaction in a magnetic compound are investigated by using the second quantization method which was originally developed by Bogoljubov in the polarized-ion model for metals. We expand the electron-field operator by a set of orthogonalized atomic orbitals which are constructed from the original non-orthogonal ones. By taking into account the configuration interaction we evaluate the energy of the crystal up to the fourth order of the overlap integral between the nearest neighbour orbitals. The coupling between spin pairs, which is obtained in the order of ε^4, is shown to be describable by the familiar spin-operator formalism. The effective interaction constant J has really a very complicated structure owing to non-orthogonality of the original orbitals. We notice that J contains the interaction in π/2-direction besides the usual interaction in π-direction.
理論物理学刊行会の論文
1961-06-25