Understanding the Electronic Structure of IrO2 Using Hard-X-ray Photoelectron 
Spectroscopy and Density-Functional Theory

Kahk, J. M.; Poll, C. G.; Oropeza, F. E.; Ablett, J. M.; Céolin, D.; Rueff, J-P.; Agrestini, S.; Utsumi, Y.; Tsuei, K. D.; Liao, Y. F.; Borgatti, F.; Panaccione, G.; Regoutz, A.; Egdell, R. G.; Morgan, B. J.; Scanlon, D. O.; Payne, D. J.

doi:10.1103/PhysRevLett.112.117601

Item

ITEM ACTIONSEXPORT

Add to Basket

Local TagsRelease HistoryDetailsSummary

Released

Journal Article

Understanding the Electronic Structure of IrO₂ Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory

MPS-Authors

/persons/resource/persons126507

Agrestini, S.
Stefano Agrestini, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons130020

Utsumi, Y.
Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

External Resource

No external resources are shared

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

Fulltext (public)

There are no public fulltexts stored in PuRe

Supplementary Material (public)

There is no public supplementary material available

Citation

Kahk, J. M., Poll, C. G., Oropeza, F. E., Ablett, J. M., Céolin, D., Rueff, J.-P., et al. (2014). Understanding the Electronic Structure of IrO₂ Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory. Physical Review Letters, 112(11): 117601, pp. 1-6. doi:10.1103/PhysRevLett.112.117601.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-0A52-9

Abstract

The electronic structure of IrO2 has been investigated using hard x-ray photoelectron spectroscopy and density-functional theory. Excellent agreement is observed between theory and experiment. We show that the electronic structure of IrO2 involves crystal field splitting of the iridium 5d orbitals in a distorted octahedral field. The behavior of IrO2 closely follows the theoretical predictions of Goodenough for conductive rutile-structured oxides [J. B. Goodenough, J. Solid State Chem. 3, 490 (1971)]. Strong satellites associated with the core lines are ascribed to final state screening effects. A simple plasmon model for the satellites applicable to many other metallic oxides appears to be not valid for IrO2.