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

doi: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

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

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

4 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, J_c, J_c1, and J_c2) 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 J_c, J_c1, 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 J_c1 and antiferromagnetic J_c2 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 language	English
Pages (from-to)	18-22
Number of pages	5
Journal	Solid State Communications
Volume	162
DOIs	https://doi.org/10.1016/j.ssc.2013.02.021
Publication status	Published - 2013 May
Externally published	Yes

Keywords

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

ASJC Scopus subject areas

Chemistry(all)
Condensed Matter Physics
Materials Chemistry

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10.1016/j.ssc.2013.02.021

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@article{702646db26d04a5dba5e18c4eb35571b,

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

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.",

keywords = "BiMnO(NO), Frustration, Honeycomb lattice, X-ray absorption spectroscopy",

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

note = "Funding Information: The authors would like to thank Y. Motome for informative discussions. This research was made possible with financial support from the Canadian funding organizations NSERC, CFI, and CIFAR . This research is also granted by the Japan Society for the Promotion of Science (JSPS) through the “ Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST Program) ,” initiated by the Council for Science and Technology Policy (CSTP).",

year = "2013",

month = may,

doi = "10.1016/j.ssc.2013.02.021",

language = "English",

volume = "162",

pages = "18--22",

journal = "Solid State Communications",

issn = "0038-1098",

publisher = "Elsevier Limited",

}

TY - JOUR

T1 - Impact of Mn-O-O-Mn superexchange pathways in a honeycomb lattice Mn oxide with small charge-transfer energy

AU - Wadati, H.

AU - Kato, K.

AU - Wakisaka, Y.

AU - Sudayama, T.

AU - Hawthorn, D. G.

AU - Regier, T. Z.

AU - Onishi, N.

AU - Azuma, M.

AU - Shimakawa, Y.

AU - Mizokawa, T.

AU - Tanaka, A.

AU - Sawatzky, G. A.

N1 - Funding Information: The authors would like to thank Y. Motome for informative discussions. This research was made possible with financial support from the Canadian funding organizations NSERC, CFI, and CIFAR . This research is also granted by the Japan Society for the Promotion of Science (JSPS) through the “ Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST Program) ,” initiated by the Council for Science and Technology Policy (CSTP).

PY - 2013/5

Y1 - 2013/5

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.

KW - BiMnO(NO)

KW - Frustration

KW - Honeycomb lattice

KW - X-ray absorption spectroscopy

UR - http://www.scopus.com/inward/record.url?scp=84877304592&partnerID=8YFLogxK

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U2 - 10.1016/j.ssc.2013.02.021

DO - 10.1016/j.ssc.2013.02.021

M3 - Article

AN - SCOPUS:84877304592

SN - 0038-1098

VL - 162

SP - 18

EP - 22

JO - Solid State Communications

JF - Solid State Communications

ER -

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

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