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Exchange interaction in LaCoO3 between cobalt ions Co3+ in different spin states
Russian version
DOI: 10.21883/PSS.2022.12.54381.426
Polukeev S. I. 1, Gavrichkov V. A.1, Ovchinnikov S. G. 1
1Kirensky Institute of Physics, Federal Research Center KSC SB, Russian Academy of Sciences, Krasnoyarsk, Russia
Email: psi@iph.krasn.ru, gav@iph.krasn.ru, sgo@iph.krasn.ru
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The values and signs of the contributions to the superexchange interaction of Co3+ ions in LaCoO3 in different spin states, namely, the superexchange of a pair of ions in the intermediate (IS) state and the superexchange of a pair of ions, one of which is in the intermediate state and the other in the high-spin (HS) state, are studied. For this purpose, virtual electron-hole pairs produced in the course of superexchange (the so-called exchange loops) have been studied within the framework of a multiband generalization of the Hubbard model. It is shown that the cobalt ions in the intermediate state are ordered ferromagnetically, while a pair of ions in different HS and IS states makes an AFM contribution to the superexchange. Keywords: superexchange interaction, magnetic structure, Hubbard model, projection operator method, exchange loop.
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