Charge-transfer energy in iridates: A hard X-ray photoelectron spectroscopy study

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • D. Takegami - , Max Planck Institute for Chemical Physics of Solids (Author)
  • D. Kasinathan - , Max Planck Institute for Chemical Physics of Solids (Author)
  • K. K. Wolff - , Max Planck Institute for Chemical Physics of Solids (Author)
  • S. G. Altendorf - , Max Planck Institute for Chemical Physics of Solids (Author)
  • C. F. Chang - , Max Planck Institute for Chemical Physics of Solids (Author)
  • K. Hoefer - , Max Planck Institute for Chemical Physics of Solids (Author)
  • A. Melendez-Sans - , Max Planck Institute for Chemical Physics of Solids (Author)
  • Y. Utsumi - , Max Planck Institute for Chemical Physics of Solids (Author)
  • F. Meneghin - , Max Planck Institute for Chemical Physics of Solids, Polytechnic University of Milan (Author)
  • T. D. Ha - , Max Planck Institute for Chemical Physics of Solids, National Yang Ming Chiao Tung University (Author)
  • C. H. Yen - , Max Planck Institute for Chemical Physics of Solids, National Tsing Hua University (Author)
  • K. Chen - , University of Cologne (Author)
  • C. Y. Kuo - , Max Planck Institute for Chemical Physics of Solids, National Synchrotron Radiation Research Center Taiwan (Author)
  • Y. F. Liao - , National Synchrotron Radiation Research Center Taiwan (Author)
  • K. D. Tsuei - , National Synchrotron Radiation Research Center Taiwan (Author)
  • R. Morrow - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • S. Wurmehl - , Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • B. Büchner - , Chair of Experimental Solid State Physics, Leibniz Institute for Solid State and Materials Research Dresden (Author)
  • B. E. Prasad - , Max Planck Institute for Chemical Physics of Solids (Author)
  • M. Jansen - , Max Planck Institute for Solid State Research (Author)
  • A. C. Komarek - , Max Planck Institute for Chemical Physics of Solids (Author)
  • P. Hansmann - , Max Planck Institute for Chemical Physics of Solids, Friedrich-Alexander University Erlangen-Nürnberg (Author)
  • L. H. Tjeng - , Max Planck Institute for Chemical Physics of Solids (Author)

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 A2BIrO6 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.

Details

Original languageEnglish
Article number045119
JournalPhysical Review B
Volume102
Issue number4
Publication statusPublished - 15 Jul 2020
Peer-reviewedYes