期刊
PHYSICAL REVIEW LETTERS
卷 112, 期 11, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.112.117601
关键词
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资金
- Royal Society [UF100105]
- EPSRC for a Doctoral Prize Studentship
- Materials Design Network
- Deutsche Forschungsgemeinschaft [SFB 608, FOR 1346]
- EPSRC-Centre for Innovation [EP/K000144/1, EP/K000136/1]
- HECToR supercomputer through UK's HPC Materials Chemistry Consortium
- EPSRC [EP/F067496]
- Ramsay Fellowship
- Engineering and Physical Sciences Research Council [EP/K000136/1, EP/K000144/1, EP/F067496/1, 1418601] Funding Source: researchfish
- EPSRC [EP/K000136/1, EP/K000144/1, EP/F067496/1] Funding Source: UKRI
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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