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Sohn, Chang Hee
Laboratory for Unobtainable Functional Oxides
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Mixing between J(eff)=1/2 and 3/2 orbitals in Na2IrO3: A spectroscopic and density functional calculation study

Author(s)
Sohn, C. H.Kim, H. -S.Qi, T. F.Jeong, D. W.Park, H. J.Yoo, H. K.Kim, H. H.Kim, J. -Y.Kang, T. D.Cho, Deok-YongCao, G.Yu, J.Moon, S. J.Noh, T. W.
Issued Date
2013-08
DOI
10.1103/PhysRevB.88.085125
URI
https://scholarworks.unist.ac.kr/handle/201301/26327
Fulltext
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.88.085125
Citation
PHYSICAL REVIEW B, v.88, no.8, pp.085125
Abstract
We investigated the electronic structure of Na2IrO3 using optical spectroscopy, first-principles calculation, and x-ray absorption spectroscopy. We found that the electronic structure of Na2IrO3 is mainly determined by anisotropic hopping interactions and spin-orbit coupling. Due to the hopping interaction, the orbital character of the bands near the Fermi level deviates from the spin-orbit coupling-induced J(eff) = 1/2 states. Polarization-dependent O 1s x-ray absorption spectroscopy showed that the J(eff) = 1/2 state of an Ir atom can be mixed with the J(eff) = 3/2 state of the neighboring Ir atom. This result implies that mixing between the J(eff) = 1/2 and 3/2 states in the valence state should be carefully considered in proposed exotic states of Na2IrO3, such as topological insulator and quantum spin liquid states.
Publisher
AMER PHYSICAL SOC
ISSN
1098-0121

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