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  Understanding the Electronic Structure of IrO2 Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory

Kahk, J. M., Poll, C. G., Oropeza, F. E., Ablett, J. M., Céolin, D., Rueff, J.-P., et al. (2014). Understanding the Electronic Structure of IrO2 Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory. Physical Review Letters, 112(11): 117601, pp. 1-6. doi:10.1103/PhysRevLett.112.117601.

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Kahk, J. M.1, Autor
Poll, C. G.1, Autor
Oropeza, F. E.1, Autor
Ablett, J. M.1, Autor
Céolin, D.1, Autor
Rueff, J-P.1, Autor
Agrestini, S.2, Autor           
Utsumi, Y.3, Autor           
Tsuei, K. D.1, Autor
Liao, Y. F.1, Autor
Borgatti, F.1, Autor
Panaccione, G.1, Autor
Regoutz, A.1, Autor
Egdell, R. G.1, Autor
Morgan, B. J.1, Autor
Scanlon, D. O.1, Autor
Payne, D. J.1, Autor
Affiliations:
1external, ou_persistent22              
2Stefano Agrestini, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863459              
3Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863445              

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 Zusammenfassung: 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.

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 Datum: 2014-03-17
 Publikationsstatus: Erschienen
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 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: -
 Identifikatoren: ISI: 000332924600018
DOI: 10.1103/PhysRevLett.112.117601
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Titel: Physical Review Letters
  Andere : Phys. Rev. Lett.
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: Woodbury, N.Y. : American Physical Society
Seiten: - Band / Heft: 112 (11) Artikelnummer: 117601 Start- / Endseite: 1 - 6 Identifikator: ISSN: 0031-9007
CoNE: https://pure.mpg.de/cone/journals/resource/954925433406_1