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

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...

詳細記述

書誌詳細
主要な著者: Johnson, R, Broeders, I, Coldea, R
その他の著者: Mehlawat, K
フォーマット: Dataset
出版事項: University of Oxford 2019
その他の書誌記述
要約: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.