Understanding the electronic structure of IrO2 using hard-X-ray photoelectron spectroscopy and density-functional theory

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

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69 Citations (Scopus)


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.

Original languageEnglish
Article number117601
JournalPhysical Review Letters
Issue number11
Publication statusPublished - 17 Mar 2014

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