Mixing between J(eff)=1/2 and 3/2orbitals in Na2IrO3 : A spectroscopic and density functional calculation study

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Title
Mixing between J(eff)=1/2 and 3/2orbitals in Na2IrO3 : A spectroscopic and density functional calculation study
Author(s)
Chang Hee Sohn; Kim, H.S.; Qi, T.F.; Da Woon Jeong; Hyun Ju Park; Hyang Keun Yoo; Hong Hee Kim; Kim, J.Y.; Tae Dong Kang; Deok-Yong Cho; Cao, G.; Yu, J.; S.J. Moon; Taewon Noh
Publication Date
2013-08
Journal
PHYSICAL REVIEW B, v.88, no.8, pp.85125-1 - 85125-5
Publisher
AMER PHYSICAL SOC
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 Jeff = 1/2 states. Polarizationdependent O 1s x-ray absorption spectroscopy showed that the Jeff = 1/2 state of an Ir atom can be mixed with the Jeff = 3/2 state of the neighboring Ir atom. This result implies that mixing between the Jeff = 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.
URI
https://pr.ibs.re.kr/handle/8788114/1280
ISSN
2469-9950
Appears in Collections:
Center for Correlated Electron Systems(강상관계 물질 연구단) > Journal Papers (저널논문)
Files in This Item:
2013-Physical Review B-Mixing between Jeff.pdfDownload

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