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...
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| Format: | Dataset |
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University of Oxford
2019
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| _version_ | 1826268761579061248 |
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| author | Johnson, R Broeders, I Coldea, R |
| author2 | Mehlawat, K |
| author_facet | Mehlawat, K Johnson, R Broeders, I Coldea, R |
| author_sort | Johnson, R |
| collection | OXFORD |
| description | 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. |
| first_indexed | 2024-03-06T21:14:33Z |
| format | Dataset |
| id | oxford-uuid:3f52bf7f-6b2f-4cf1-a3c0-dc9d84a19d8a |
| institution | University of Oxford |
| last_indexed | 2024-03-06T21:14:33Z |
| publishDate | 2019 |
| publisher | University of Oxford |
| record_format | dspace |
| spelling | oxford-uuid:3f52bf7f-6b2f-4cf1-a3c0-dc9d84a19d8a2022-03-26T14:31:19ZChemical tuning between triangular and honeycomb structures in a 5d spin-orbit Mott insulatorDatasethttp://purl.org/coar/resource_type/c_ddb1uuid:3f52bf7f-6b2f-4cf1-a3c0-dc9d84a19d8aORA DepositUniversity of Oxford2019Johnson, RBroeders, IColdea, RMehlawat, KColdea, RLi, YSingh, YValenti, Rthe 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. |
| spellingShingle | Johnson, R Broeders, I Coldea, R Chemical tuning between triangular and honeycomb structures in a 5d spin-orbit Mott insulator |
| title | Chemical tuning between triangular and honeycomb structures in a 5d spin-orbit Mott insulator |
| title_full | Chemical tuning between triangular and honeycomb structures in a 5d spin-orbit Mott insulator |
| title_fullStr | Chemical tuning between triangular and honeycomb structures in a 5d spin-orbit Mott insulator |
| title_full_unstemmed | Chemical tuning between triangular and honeycomb structures in a 5d spin-orbit Mott insulator |
| title_short | Chemical tuning between triangular and honeycomb structures in a 5d spin-orbit Mott insulator |
| title_sort | chemical tuning between triangular and honeycomb structures in a 5d spin orbit mott insulator |
| work_keys_str_mv | AT johnsonr chemicaltuningbetweentriangularandhoneycombstructuresina5dspinorbitmottinsulator AT broedersi chemicaltuningbetweentriangularandhoneycombstructuresina5dspinorbitmottinsulator AT coldear chemicaltuningbetweentriangularandhoneycombstructuresina5dspinorbitmottinsulator |