Understanding the electronic structure of IrO2 using hard-X-ray photoelectron spectroscopy and density-functional
J M Kahk1, C G Poll1, F E Oropeza1
1Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
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).
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