Johnson, RD;
Broeders, I;
Mehlawat, K;
Li, Y;
Singh, Y;
Valenti, R;
Coldea, R;
(2019)
Chemical tuning between triangular and honeycomb structures in a 5d spin-orbit Mott insulator.
Physical Review B
, 100
, Article 214113. 10.1103/PhysRevB.100.214113.
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Abstract
We report structural studies of the spin-orbit Mott insulator family K x Ir y O 2 , with triangular layers of edge-sharing IrO 6 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 behavior with charge neutrality achieved via iridium vacancies, which order in a honeycomb supercell above a critical composition x c . By performing density functional theory calculations we attribute the observed behavior to a subtle interplay of crystal-field environment, local electronic correlations, and strong spin-orbit interaction at the Ir 4 + sites, making this structural family a candidate to display Kitaev magnetism in the experimentally unexplored regime that interpolates between triangular and honeycomb structures.
| Type: | Article |
|---|---|
| Title: | Chemical tuning between triangular and honeycomb structures in a 5d spin-orbit Mott insulator |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevB.100.214113 |
| Publisher version: | https://doi.org/10.1103/PhysRevB.100.214113 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | Science & Technology, Technology, Physical Sciences, Materials Science, Multidisciplinary, Physics, Applied, Physics, Condensed Matter, Materials Science, Physics, TOTAL-ENERGY CALCULATIONS, PHASES |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10089454 |
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