Co-O-O-Co superexchange pathways enhanced by small charge-transfer energy in multiferroic BiCoO3

T. Sudayama, Y. Wakisaka, T. Mizokawa, H. Wadati, G. A. Sawatzky, D. G. Hawthorn, T. Z. Regier, K. Oka, M. Azuma, Y. Shimakawa

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Abstract

We have studied the electronic structure of multiferroic BiCoO3 using x-ray photoemission spectroscopy (XPS), x-ray absorption spectroscopy (XAS), and subsequent model calculations. The XAS results show that the Co3 + ion takes the high-spin d6 configuration which usually prefers G-type antiferromagnetic state. The XPS results and model Hartree-Fock calculations show that, in case of BiCoO3, small charge-transfer energy plays an essential role to enhance the Co-O-O-Co superexchange pathways. It is found that the combination of ferro-type orbital ordering of Co 3d t 2g and the Co-O-O-Co superexchange interaction gives rise to C-type antiferromagnetic state in BiCoO3. The present analysis suggests that, in addition to the Bi-O bonds responsible for the noncentrosymmetric deformation, the O-O bonds are important to stabilize the multiferroic phase of BiCoO3.

Original languageEnglish
Article number235105
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume83
Issue number23
DOIs
Publication statusPublished - 2011 Jun 3
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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    Sudayama, T., Wakisaka, Y., Mizokawa, T., Wadati, H., Sawatzky, G. A., Hawthorn, D. G., Regier, T. Z., Oka, K., Azuma, M., & Shimakawa, Y. (2011). Co-O-O-Co superexchange pathways enhanced by small charge-transfer energy in multiferroic BiCoO3. Physical Review B - Condensed Matter and Materials Physics, 83(23), [235105]. https://doi.org/10.1103/PhysRevB.83.235105