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Sohn, Chang Hee
Laboratory for Unobtainable Functional Oxides
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Spin-orbit coupling induced band structure change and orbital character of epitaxial IrO2 films

Author(s)
Kim, Woo JinKim, So YeunKim, Choong H.Sohn, Chang HeeKorneta, O. B.Chae, Seung ChulNoh, Tae Won
Issued Date
2016-01
DOI
10.1103/PhysRevB.93.045104
URI
https://scholarworks.unist.ac.kr/handle/201301/26309
Fulltext
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.045104
Citation
PHYSICAL REVIEW B, v.93, no.4, pp.045104
Abstract
We investigated the electronic structure of IrO2 to address the controversy regarding spin-orbit coupling (SOC) effects in metallic 5d transition-metal oxides. Two issues have come to the forefront: (1) SOC effects on electronic structure and physical properties of IrO2 and (2) the possible formation of a novel ground state in this material, the J(eff) = 1/2 state. To better understand the SOC mechanism, we grew epitaxial IrO2 films whose dc resistivity values were comparable with those of a single crystal. We obtained polarization-dependent optical and x-ray absorption spectra (XAS) and compared these results with those acquired using the generalized gradient approximation (GGA) and GGA + SOC calculations. From the optical spectra, peak structures were identified at 0.4 and 2.0 eV, which could only be explained using the GGA + SOC calculation. This suggests that SOC plays an important role in the electronic structure of IrO2. From the polarization-dependent O 1s XAS spectra, we observed that the empty state near the Fermi level lacks involvement of an Ir d(xy) orbital. Despite the importance of SOC in IrO2, the J(eff) = 1/2 state does not form in metallic IrO2.
Publisher
AMER PHYSICAL SOC
ISSN
1098-0121
Keyword
OXIDE THIN-FILMSIRIDIUM OXIDEELECTRONIC-STRUCTUREOPTICAL-PROPERTIESRUO2DEPOSITIONOSO-2

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