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Phase evolution of layered cobalt oxides versus varying corrugation of the cobalt-oxygen basal plane

Hua Wu
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Abstract

A general spin-state model and a qualitative physical picture have been proposed for a class of lately synthesized layered cobalt oxides (LCOs) by means of density functional calculations. As the plane corrugation of the cobalt-oxygen layer decreases, the LCOs evolve from a high-spin (HS) superexchange-coupled antiferromagnetic (AFM) insulator to an almost-HS AFM/ferromagnetic (FM) competing system where the FM coupling is mediated via the p-d exchange by an increasing amount of delocalized pdσholes having mainly the planar O 2p character. It is tentatively suggested that the delocalized holes more than 0.3 per CoO_{2} basal square are likely necessary for the insulator-metal and/or AFM-FM transitions in the corrugation-weakened LCOs. A phase control may be realized in LCOs by varying the plane corrugation (thus modifying the hole concentration) through an ionic-size change of the neighboring layers on both sides of the cobalt-oxygen layer. In addition, a few experiments are suggested for a check of the present model and picture.

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Hua Wu. 2002-10-17. Phase evolution of layered cobalt oxides versus varying corrugation of the cobalt-oxygen basal plane. https://doi.org/10.1140/epjb%2Fe2002-00407-3

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