Ferromagnetic kinetic exchange interaction in magnetic insulators
Huang, Z., Liu, D., Mansikkamäki, A., Vieru, V., Iwahara, N., & Chibotaru, L. F. (2020). Ferromagnetic kinetic exchange interaction in magnetic insulators. Physical Review Research, 2(3), Article 033430. https://doi.org/10.1103/PhysRevResearch.2.033430
Published inPhysical Review Research
Liu, Dan |
DisciplineEpäorgaaninen ja analyyttinen kemiaNanoscience CenterInorganic and Analytical ChemistryNanoscience Center
© Authors, 2020
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.
PublisherAmerican Physical Society (APS)
Publication in research information system
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Additional information about fundingZ.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). ...
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