Takegami, D., Kasinathan, D., Wolff, K. K., Altendorf, S. G., Chang, C. F., Hoefer, K., Melendez-Sans, A., Utsumi, Y., Meneghin, F., Ha, T. D., Yen, C. H., Chen, K., Kuo, C. Y., Liao, Y. F., Tsuei, K. D., Morrow, R., Wurmehl, S., Buechner, B., Prasad, B. E., Jansen, M., Komarek, A. C., Hansmann, P. and Tjeng, L. H. (2020). Charge-transfer energy in iridates: A hard x-ray photoelectron spectroscopy study. Phys. Rev. B, 102 (4). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2469-9969

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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.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Takegami, D.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Kasinathan, D.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Wolff, K. K.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Altendorf, S. G.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Chang, C. F.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Hoefer, K.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Melendez-Sans, A.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Utsumi, Y.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Meneghin, F.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Ha, T. D.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Yen, C. H.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Chen, K.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Kuo, C. Y.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Liao, Y. F.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Tsuei, K. D.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Morrow, R.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Wurmehl, S.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Buechner, B.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Prasad, B. E.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Jansen, M.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Komarek, A. C.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Hansmann, P.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Tjeng, L. H.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-326553
DOI: 10.1103/PhysRevB.102.045119
Journal or Publication Title: Phys. Rev. B
Volume: 102
Number: 4
Date: 2020
Publisher: AMER PHYSICAL SOC
Place of Publication: COLLEGE PK
ISSN: 2469-9969
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
ANGULAR-DISTRIBUTION PARAMETERSMultiple languages
Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed MatterMultiple languages
URI: http://kups.ub.uni-koeln.de/id/eprint/32655

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