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Chemical tuning between triangular and honeycomb structures in a 5d spin-orbit Mott insulator

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the deposited package contains resistivity and x-ray diffraction data on the layered potassium-iridate materials KxIryO2 We report structural studies of the spin-orbit Mott insulator family KxIryO2, with triangular layers of edge-sharing IrO6 octahedra bonded by potassium ions. The potassium content acts as a chemical tuning parameter to control the amount of charge in the Ir-O layers. Unlike the isostructural families with Ir replaced by Co or Rh (y=1), which are metallic over a range of potassium compositions x, we instead find insulating behaviour with charge neutrality achieved via iridium vacancies, which order in a honeycomb supercell above a critical composition. By performing density functional theory calculations we attribute the observed behaviour to a subtle interplay of crystal-field environment, local electronic correlations and strong spin-orbit interaction at the Ir4+ sites, making this structural family a candidate to display Kitaev magnetism in the experimentally unexplored regime that interpolates between triangular and honeycomb structures.

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Department:
Physics
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Department:
Clarendon Laboratory, Department of Physics, University of Oxford, Oxford, OX1 3PU, United Kingdom
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Department:
Clarendon Laboratory, Department of Physics, University of Oxford, Oxford, OX1 3PU, United Kingdom
Role:
Creator, Principal Investigator (PI)

Contributors

Department:
Department of Physical Sciences, Indian Institute of Science Education and Research, Knowledge City, Sector 81, Mohali 140306, India
Role:
Researcher
Department:
Institut fur Theoretische Physik, Goethe-Universitat Frankfurt, 60438 Frankfurt am Main, Germany
Role:
Researcher
Department:
Department of Physical Sciences, Indian Institute of Science Education and Research, Knowledge City, Sector 81, Mohali 140306, India
Role:
Researcher
Department:
Institut fur Theoretische Physik, Goethe-Universitat Frankfurt, 60438 Frankfurt am Main, Germany
Role:
Researcher

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Funding agency for:
Valenti, R
Grant:
VA117/15-1
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Grant:
EP/M020517/1
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Publisher:
University of Oxford
Publication date:
2019
DOI:

UUID:
uuid:3f52bf7f-6b2f-4cf1-a3c0-dc9d84a19d8a
Deposit date:
2019-10-31

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