1. Charge transfer energy in iridates: a hard x-ray photoelectron spectroscopy study
- Author
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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., Büchner, B., Prasad, B. E., Jansen, M., Komarek, A. C., Hansmann, P., and Tjeng, L. H.
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Condensed Matter - Strongly Correlated Electrons - Abstract
We have investigated the electronic structure of iridates in the double perovskite crystal structure containing either Ir$^{4+}$ or Ir$^{5+}$ 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., Comment: 9 pages, 7 figures, submitted to Physical Review B
- Published
- 2020
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