The mechanism of the superexchange interaction of MnO crystal is investigated qualitatively taking into consideration of the non-orthogonality of wave functions. The energy expression is obtained for both spin states, that is, the perfect parallel spin arrangement and the ordered antiparallel spin arrangement, by the method of Heitler-London-Lowdin. As a result we find the the energy of the ordered antiparallel spin arrangement may be lower than that of the perfect parallel spin arrangement mainly by the effect of the S-energy, which consists of several overlap-integrals.
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Jirô Yamashita (1954) studied this question.
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