Jump to main content
Jump to site search


Engineering Kitaev exchange in stacked iridate layers: impact of inter-layer species on in-plane magnetism

Abstract

Novel functionalities may be achieved in oxide electronics by appropiate stacking of planar oxide layers of different metallic species, MOp and M′Oq. The simplest mechanism allowing to tailor the electronic states and physical properties of such heterostructures is of electrostatic nature — charge imbalance between the M and M′ cations. Here we clarify the effect of interlayer electrostatics on the anisotropic Kitaev exchange in H3LiIr2O6, a recently proposed realization of the Kitaev spin liquid. By quantum chemical calculations, we show that the precise position of H+ cations between magnetically active [LiIr2O6]3- honeycomb-like layers has strong impact on the magnitude of Kitaev interactions. In particular, it is found that stacking with straight interlayer O-H-O links is detrimental to in-plane Kitaev exchange since coordination by a single H-ion of the O ligand implies an axial Coulomb potential at the O site and unfavorable polarization of the O 2p orbitals mediating the Ir-Ir interactions. Our results therefore provide valuable guidelines for the rational design of Kitaev quantum magnets, indicating unprecedented Kitaev interactions of ≈40 meV if linear interlayer linkage is removed.

Back to tab navigation

Publication details

The article was received on 08 Jul 2018, accepted on 01 Dec 2018 and first published on 03 Dec 2018


Article type: Edge Article
DOI: 10.1039/C8SC03018A
Citation: Chem. Sci., 2019, Accepted Manuscript
  • Open access: Creative Commons BY license
  •   Request permissions

    Engineering Kitaev exchange in stacked iridate layers: impact of inter-layer species on in-plane magnetism

    R. Yadav, M. S. Eldeeb, R. Ray, S. Aswartham, M. I. Sturza, S. Nishimoto, J. van den Brink and L. Hozoi, Chem. Sci., 2019, Accepted Manuscript , DOI: 10.1039/C8SC03018A

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements