Impact of Mn-O-O-Mn superexchange pathways in a honeycomb lattice Mn oxide with small charge-transfer energy

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

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Abstract

We investigated the electronic structure of layered Mn oxide Bi 3Mn4O12(NO3) with a Mn honeycomb lattice by x-ray absorption spectroscopy and model calculations. The valence of Mn was determined to be 4+ with a small charge-transfer energy of ∼ 1 eV. The values of (J1, J2, J3, Jc, Jc1, and Jc2) obtained by unrestricted Hartree-Fock calculations on Mn 3d-O 2p lattice models show that intra-layer second and third neighbor superexchange interactions J2 and J3 as well as inter-layer superexchange interactions Jc, Jc1, and J c2 are enhanced due to Mn-O-O-Mn pathways, which are activated by the smallness of charge-transfer energy. The present analysis indicates that the ferromagnetic Jc1 and antiferromagnetic Jc2 are responsible to the antiferromagnetic inter-layer coupling and that the intra-layer exchange interactions with the ferromagnetic J2 and antiferromagnetic J3 have no frustration effect.

Original languageEnglish
Pages (from-to)18-22
Number of pages5
JournalSolid State Communications
Volume162
DOIs
Publication statusPublished - 2013 May 1

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Keywords

  • BiMnO(NO)
  • Frustration
  • Honeycomb lattice
  • X-ray absorption spectroscopy

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

Cite this

Wadati, H., Kato, K., Wakisaka, Y., Sudayama, T., Hawthorn, D. G., Regier, T. Z., Onishi, N., Azuma, M., Shimakawa, Y., Mizokawa, T., Tanaka, A., & Sawatzky, G. A. (2013). Impact of Mn-O-O-Mn superexchange pathways in a honeycomb lattice Mn oxide with small charge-transfer energy. Solid State Communications, 162, 18-22. https://doi.org/10.1016/j.ssc.2013.02.021