Understanding the Electronic Structure of IrO2 Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory
| Title | Understanding the Electronic Structure of IrO2 Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory |
| Publication Type | Journal Article |
| Year of Publication | 2014 |
| Authors | Kahk, JM, Poll, CG, Oropeza, FE, Ablett, JM, Geolin, D, Rueff, J-P, Agrestini, S, Utsumi, Y, Tsuei, KD, Liao, YF, Borgatti, F, Panaccione, G, Regoutz, A, Egdell, RG, Morgan, BJ, Scanlon, DO, Payne, DJ |
| Journal | Physical review letters (Print) |
| Volume | 112 |
| Pagination | 117601-1–117601-6 |
| ISSN | 0031-9007 |
| Keywords | DIOXIDE, EVOLUTION, IRIDIUM OXIDE-FILMS, OXYGEN, PLATINUM, RUO2, STATE, SURFACE CHARACTERIZATION, TRANSITION, XPS |
| 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. |
| DOI | 10.1103/PhysRevLett.112.117601 |
