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.
Understanding the Electronic Structure of IrO2 Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory
Borgatti F;Panaccione G;
2014
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)]. 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
