Understanding the electronic structure of IrO2 using hard-X-ray photoelectron spectroscopy and density-functional theory.
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).
Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
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JM
Kahk
Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
C G
CG
Poll
Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
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FE
Oropeza
Synchrotron SOLEIL, L'Orme des Merisiers, BP 48 Saint-Aubin, 91192 Gif-sur-Yvette, France.
J M
JM
Ablett
Synchrotron SOLEIL, L'Orme des Merisiers, BP 48 Saint-Aubin, 91192 Gif-sur-Yvette, France.
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Céolin
Synchrotron SOLEIL, L'Orme des Merisiers, BP 48 Saint-Aubin, 91192 Gif-sur-Yvette, France.
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JP
Rueff
Max Planck Institute for Chemical Physics of Solids, Nöthnitzerstr. 40, 01187 Dresden, Germany.
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S
Agrestini
Max Planck Institute for Chemical Physics of Solids, Nöthnitzerstr. 40, 01187 Dresden, Germany.
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Y
Utsumi
National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu 30077, Taiwan.
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KD
Tsuei
National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu 30077, Taiwan.
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YF
Liao
Consiglio Nazionale delle Ricerche, Istituto per lo Studio dei Materiali Nanostrutturati (CNR-ISMN), via P. Gobetti n.101, I-40129 Bologna, Italy.
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Borgatti
Istituto Officina dei Materiali (IOM)-CNR, Laboratorio TASC, in Area Science Park, S.S.14, Km 163.5, I-34149 Trieste, Italy.
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Panaccione
Department of Chemistry, University of Oxford, Chemistry Research Laboratory, 12 Mansfield Road, Oxford OX1 3TA, United Kingdom.
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A
Regoutz
Department of Chemistry, University of Oxford, Chemistry Research Laboratory, 12 Mansfield Road, Oxford OX1 3TA, United Kingdom.
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RG
Egdell
Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom.
B J
BJ
Morgan
University College London, Kathleen Lonsdale Materials Chemistry, Department of Chemistry, 20 Gordon Street, London WC1H 0AJ, United Kingdom and Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, United Kingdom.
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Scanlon
Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom.
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Payne