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Understanding the electronic structure of IrO2 using hard-X-ray photoelectron spectroscopy and density-functional theory.

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).
Publication status:
Published

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Journal:
Physical Review Letters More from this journal
Volume:
112
Issue:
11
Pages:
117601
Publication date:
2014-03-01
DOI:
EISSN:
1079-7114
ISSN:
0031-9007
Language:
English
Pubs id:
pubs:462189
UUID:
uuid:6a6b0216-9c0c-4c59-a919-666576d00966
Local pid:
pubs:462189
Source identifiers:
462189
Deposit date:
2014-07-09

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