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Understanding the Electronic Structure of IrO 2 Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory

DOI: 10.1103/PhysRevLett.112.117601 DOI Help
PMID: 24702416 PMID Help

Authors: J. M. Kahk (Imperial College London) , C. G. Poll (Imperial College London) , F. E. Oropeza (Imperial College London) , J. M. Ablett (Synchrotron SOLEIL) , D. Céolin (Synchrotron SOLEIL) , J. P. Rueff (Synchrotron SOLEIL) , S. Agrestini (CNRS ENSICAEN) , Y. Utsumi (CNRS ENSICAEN) , K. D. Tsuei (National Synchrotron Radiation Research Center) , Y. F. Liao (National Synchrotron Radiation Research Center) , F. Borgatti (CNR - ISMN) , G. Panaccione (IOM-CNR TASC Laboratory) , A. Regoutz (University of Oxford) , R. G. Egdell (University of Oxford) , B. J. Morgan (University of Oxford) , D. O. Scanlon (University College London; Diamond Light Source) , D. J. Payne (Imperial College London)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Review Letters , VOL 112

State: Published (Approved)
Published: March 2014

Abstract: The electronic structure of IrO 2 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 IrO 2 involves crystal field splitting of the iridium 5d orbitals in a distorted octahedral field. The behavior of IrO 2 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 IrO 2 .

Subject Areas: Physics

Facility: NSRRC; SPring-8