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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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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-0A52-9 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-F419-3
Genre: Journal Article

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 Creators:
Kahk, J. M.1, Author
Poll, C. G.1, Author
Oropeza, F. E.1, Author
Ablett, J. M.1, Author
Céolin, D.1, Author
Rueff, J-P.1, Author
Agrestini, S.2, Author              
Utsumi, Y.3, Author              
Tsuei, K. D.1, Author
Liao, Y. F.1, Author
Borgatti, F.1, Author
Panaccione, G.1, Author
Regoutz, A.1, Author
Egdell, R. G.1, Author
Morgan, B. J.1, Author
Scanlon, D. O.1, Author
Payne, D. J.1, Author
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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 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.

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 Dates: 2014-03-17
 Publication Status: Published in print
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Title: Physical Review Letters
  Other : Phys. Rev. Lett.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Physical Society
Pages: - Volume / Issue: 112 (11) Sequence Number: 117601 Start / End Page: 1 - 6 Identifier: ISSN: 0031-9007
CoNE: /journals/resource/954925433406_1