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, Takashi Mizokawa, A. Tanaka, G. A. Sawatzky

Research output: Contribution to journalArticle

2 Citations (Scopus)

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
Externally publishedYes

Fingerprint

Oxides
Charge transfer
charge transfer
oxides
Exchange interactions
Absorption spectroscopy
Electronic structure
X rays
energy
interactions
frustration
x ray absorption
x ray spectroscopy
absorption spectroscopy
electronic structure
valence

Keywords

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

ASJC Scopus subject areas

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

Cite this

Wadati, H., Kato, K., Wakisaka, Y., Sudayama, T., Hawthorn, D. G., Regier, T. Z., ... 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

Impact of Mn-O-O-Mn superexchange pathways in a honeycomb lattice Mn oxide with small charge-transfer energy. / Wadati, H.; Kato, K.; Wakisaka, Y.; Sudayama, T.; Hawthorn, D. G.; Regier, T. Z.; Onishi, N.; Azuma, M.; Shimakawa, Y.; Mizokawa, Takashi; Tanaka, A.; Sawatzky, G. A.

In: Solid State Communications, Vol. 162, 05.2013, p. 18-22.

Research output: Contribution to journalArticle

Wadati, H, Kato, K, Wakisaka, Y, Sudayama, T, Hawthorn, DG, Regier, TZ, Onishi, N, Azuma, M, Shimakawa, Y, Mizokawa, T, Tanaka, A & Sawatzky, GA 2013, 'Impact of Mn-O-O-Mn superexchange pathways in a honeycomb lattice Mn oxide with small charge-transfer energy', Solid State Communications, vol. 162, pp. 18-22. https://doi.org/10.1016/j.ssc.2013.02.021
Wadati, H. ; Kato, K. ; Wakisaka, Y. ; Sudayama, T. ; Hawthorn, D. G. ; Regier, T. Z. ; Onishi, N. ; Azuma, M. ; Shimakawa, Y. ; Mizokawa, Takashi ; Tanaka, A. ; Sawatzky, G. A. / Impact of Mn-O-O-Mn superexchange pathways in a honeycomb lattice Mn oxide with small charge-transfer energy. In: Solid State Communications. 2013 ; Vol. 162. pp. 18-22.
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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.",
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AU - Sudayama, T.

AU - Hawthorn, D. G.

AU - Regier, T. Z.

AU - Onishi, N.

AU - Azuma, M.

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AU - Tanaka, A.

AU - Sawatzky, G. A.

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N2 - 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.

AB - 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.

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