Mixing between J(eff)=1/2 and 3/2 orbitals in Na2IrO3: A spectroscopic and density functional calculation study
- Authors
- Sohn, Changhee; Kim, Heung Sik; Qi, Tong Fei; Jeong, Da-Woon; Park, Hyun-Ju; Yoo, Hyang-Keun; Kim, Hun-Ho; Kim, Jea-Young; Kang, Tae-Dong; Cho, Deok-Yong; Cao, Gang; Yu, Jaejun; Moon, Soonjae; Noh, Tae Won
- Issue Date
- Aug-2013
- Publisher
- AMER PHYSICAL SOC
- Citation
- PHYSICAL REVIEW B, v.88, no.8, pp.1 - 5
- Indexed
- SCIE
SCOPUS
- Journal Title
- PHYSICAL REVIEW B
- Volume
- 88
- Number
- 8
- Start Page
- 1
- End Page
- 5
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/143708
- DOI
- 10.1103/PhysRevB.88.085125
- ISSN
- 1098-0121
- 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.
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