Charge-transfer energy in iridates: A hard x-ray photoelectron spectroscopy study
Takegami D, Kasinathan D, Wolff KK, Altendorf SG, Chang CF, Hoefer K, Melendez-Sans A, Utsumi Y, Meneghin F, Ha TD, Yen CH, Chen K, Kuo CY, Liao YF, Tsuei KD, Morrow R, Wurmehl S, Buechner B, Prasad BE, Jansen M, Komarek AC, Hansmann P, Tjeng LH (2020)
Publication Type: Journal article
Publication year: 2020
Journal
Book Volume: 102
Journal Issue: 4
DOI: 10.1103/PhysRevB.102.045119
Abstract
We have investigated the electronic structure of iridates in the double perovskite crystal structure containing either Ir4+ or Ir5+ using hard x-ray photoelectron spectroscopy. The experimental valence band spectra can be well reproduced using tight-binding calculations including only the Ir 5d, O 2p, and O 2s orbitals with parameters based on the downfolding of the density-functional band structure results. We found that, regardless of the A and B cations, the A(2)BIrO(6) iridates have essentially zero O 2p to Ir 5d charge-transfer energies. Hence double perovskite iridates turn out to be extremely covalent systems with the consequence being that the magnetic exchange interactions become very long ranged, thereby hampering the materialization of the long-sought Kitaev physics. Nevertheless, it still would be possible to realize a spin-liquid system using the iridates with a proper tuning of the various competing exchange interactions.
Authors with CRIS profile
Involved external institutions
Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS) / Max Planck Institute for Chemical Physics of Solids
Germany (DE)
Max-Planck-Institut für Festkörperforschung
Germany (DE)
Universität zu Köln
Germany (DE)
Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden e.V. (IFW) / Leibniz Institute for Solid State and Materials Research Dresden
Germany (DE)
National Synchrotron Radiation Research Center (NSRRC)
Taiwan (TW)
Germany (DE)
Max-Planck-Institut für Festkörperforschung
Germany (DE)
Universität zu Köln
Germany (DE)
Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden e.V. (IFW) / Leibniz Institute for Solid State and Materials Research Dresden
Germany (DE)
National Synchrotron Radiation Research Center (NSRRC)
Taiwan (TW)
How to cite
APA:
Takegami, D., Kasinathan, D., Wolff, K.K., Altendorf, S.G., Chang, C.F., Hoefer, K.,... Tjeng, L.H. (2020). Charge-transfer energy in iridates: A hard x-ray photoelectron spectroscopy study. Physical Review B, 102(4). https://doi.org/10.1103/PhysRevB.102.045119
MLA:
Takegami, D., et al. "Charge-transfer energy in iridates: A hard x-ray photoelectron spectroscopy study." Physical Review B 102.4 (2020).
BibTeX: Download