Abstract
A scheme is proposed to describe the spin state of the Co3+ ions in the layered TbBaCo2O5.5 cobaltite near the metal–insulator transition. The spin state of the Co3+ ions in the metallic phase corresponds to a mixture of the HS(\(t_{{2g}}^{4}\)\(e_{g}^{2}\), S = 2) and LS(\(t_{{2g}}^{6}\)\(e_{g}^{0}\), S = 0) states taken at approximately the same proportion. The transition into a nonmetallic state occurs due to the transformation of the HS state into the LS state in octahedra and part of the LS state into the IS(\(t_{{2g}}^{5}\)\(e_{g}^{1}\), S = 1) state in pyramids (near TC ~ 280 K). The proposed scheme agrees with the well-known structural data obtained for the TbBaCo2O5.5 cobaltites. As follows from volumetric and linear expansion, the transition takes place over a wide temperature range T ≈ TMI ± 50 K. The study of thermal expansion shows that an LS/IS state is retained down to T = 80 K.
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Notes
As follows from [13], the Co3+ ions in the metallic phase of PrBaCo2O5.50 are in an HS/IS state at the ratio 1 : 1 if the PM contribution is taken into account.
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ACKNOWLEDGMENTS
We thank A.V. Korolev and D.A. Shishkin for the magnetic measurements, as well as A.V. Telegin for fruitful discussion.
Funding
This work was performed in terms of a state assignment of the Federal Agency of Scientific Organizations, project Spin no. AAAA-A18-118020290104-2. This work was supported in part by the Russian Foundation for Basic Research (project 20-02-00461).
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Translated by K. Shakhlevich
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Solin, N.I., Naumov, S.V. & Kazantsev, V.A. Spin State of the Co3+ Ions in the Layered TbBaCo2O5.5 Cobaltite in the Metal–Insulator Transition Range. J. Exp. Theor. Phys. 130, 690–698 (2020). https://doi.org/10.1134/S1063776120050106
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DOI: https://doi.org/10.1134/S1063776120050106