University of Oulu

Huang, Z., Liu, D., Mansikkamäki, A., Vieru, V., Iwahara, N., Chibotaru, L. (2020) Ferromagnetic kinetic exchange interaction in magnetic insulators. Physical Review Research, 2 (3), 033430.

Ferromagnetic kinetic exchange interaction in magnetic insulators

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Author: Huang, Zhishuo1; Liu, Dan2,1; Mansikkamäki, Akseli3,4;
Organizations: 1Theory of Nanomaterials Group, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium
2Institute of Flexible Electronics, Northwestern Polytechnical University, 127 West Youyi Road, Xi'an, 710072 Shaanxi, China
3NMR Research Unit, University of Oulu, P.O. Box 3000, FI-90014 Oulu, Finland
4Department of Chemistry, Nanoscience Centre, University of Jyväskylä, FI-40014 University of Jyväskylä, Finland
5Maastricht Science Programme, Faculty of Science and Engineering, Maastricht University, Paul-Henri Spaaklaan 1, 6229 EN Maastricht, The Netherlands
6Department of Chemistry, National University of Singapore, Block S8 Level 3, 3 Science Drive 3, 117543 Singapore
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 1.5 MB)
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Language: English
Published: American Physical Society, 2020
Publish Date: 2020-09-29


The superexchange theory predicts dominant antiferromagnetic kinetic interaction when the orbitals accommodating magnetic electrons are covalently bonded through diamagnetic bridging atoms or groups. Here we show that explicit consideration of magnetic and (leading) bridging orbitals, together with the electron transfer between the former, reveals a strong ferromagnetic kinetic exchange contribution. First-principles calculations show that it is comparable in strength with antiferromagnetic superexchange in a number of magnetic materials with diamagnetic metal bridges. In particular, it is responsible for a very large ferromagnetic coupling (−10 meV) between the iron ions in a Fe³⁺−Co³⁺−Fe³⁺ complex. Furthermore, we find that the ferromagnetic exchange interaction turns into antiferromagnetic by substituting the diamagnetic bridge with magnetic one. The phenomenology is observed in two series of materials, supporting the significance of the ferromagnetic kinetic exchange mechanism.

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Series: Physical review research
ISSN: 2643-1564
ISSN-E: 2643-1564
ISSN-L: 2643-1564
Volume: 2
Issue: 3
Article number: 033430
DOI: 10.1103/PhysRevResearch.2.033430
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
116 Chemical sciences
Funding: Z.H. and D.L. were supported by the China Scholarship Council. A.M. acknowledges funding provided by the Magnus Ehrnrooth Foundation. V.V. received support as a postdoctoral fellow of the Research Foundation, Flanders (FWO). N.I. was partly supported the GOA program of KU Leuven and Scientific Research Grant No. R-143-000-A80-114 of the National University of Singapore. The computational resources were provided by the VSC (Flemish Supercomputer Center).
Copyright information: © The Authors. Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.