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

研究成果: Article査読

4 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)18-22
ページ数5
ジャーナルSolid State Communications
162
DOI
出版ステータスPublished - 2013 5
外部発表はい

ASJC Scopus subject areas

  • 化学 (全般)
  • 凝縮系物理学
  • 材料化学

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