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

Takegami, D., Kasinathan, D., Wolff, K. K., Altendorf, S. G., Chang, C. F., Hoefer, K., et al. (2020). Charge-transfer energy in iridates: A hard x-ray photoelectron spectroscopy study. Physical Review B, 102(4): 045119, pp. 1-9. doi:10.1103/PhysRevB.102.045119.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0006-CB0D-8 Version Permalink: http://hdl.handle.net/21.11116/0000-0006-CB11-2
Genre: Journal Article

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 Creators:
Takegami, D.1, Author              
Kasinathan, D.1, Author              
Wolff, K. K.2, Author              
Altendorf, S. G.3, Author              
Chang, C. F.4, Author              
Hoefer, K.1, Author              
Melendez-Sans, A.1, Author              
Utsumi, Y.1, Author              
Meneghin, F.1, Author              
Ha, T. D.1, Author              
Yen, C. H.1, Author              
Chen, K.5, Author
Kuo, C. Y.1, Author              
Liao, Y. F.5, Author
Tsuei, K. D.5, Author
Morrow, R.5, Author
Wurmehl, S.5, Author
Büchner, B.5, Author
Prasad, B. E.2, Author              
Jansen, M.5, Author
Komarek, A. C.6, Author              Hansmann, P.1, Author              Tjeng, L. H.7, Author               more..
Affiliations:
1Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863445              
2Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
3Simone Altendorf, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863458              
4Chun-Fu Chang, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863447              
5External Organizations, ou_persistent22              
6Alexander Komarek, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863446              
7Liu Hao Tjeng, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863452              

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 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.

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Language(s): eng - English
 Dates: 2020-07-132020-07-13
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: -
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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 102 (4) Sequence Number: 045119 Start / End Page: 1 - 9 Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008