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Understanding the Electronic Structure ofIrO2Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory
Journal article published in 2014 by
J. M. M. Kahk,
C. G. G. Poll,
F. E. E. Oropeza 
,
J. M. M. Ablett,
D. Céolin,
J.-P. Rueff ,
S. Agrestini,
Y. Utsumi,
K. D. D. Tsuei,
Y. F. F. Liao,
F. Borgatti,
G. Panaccione,
A. Regoutz ,
R. G. G. Egdell,
B. J. J. Morgan
and other authors.
,
J. M. M. Ablett,
D. Céolin,
J.-P. Rueff ,
S. Agrestini,
Y. Utsumi,
K. D. D. Tsuei,
Y. F. F. Liao,
F. Borgatti,
G. Panaccione,
A. Regoutz ,
R. G. G. Egdell,
B. J. J. Morgan
and other authors.
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).