Antiferromagnetic Slater Insulator Phase of Na2IrO3
- Title
- Antiferromagnetic Slater Insulator Phase of Na2IrO3
- Author
- 조준형
- Issue Date
- 2014-06
- Publisher
- NATURE PUBLISHING GROUP, MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
- Citation
- SCIENTIFIC REPORTS, 권: 4
- Abstract
- Using a hybrid density-functional theory (DFT) calculation including spin-orbit coupling (SOC), we predict that the zigzag antiferromagnetic (AFM) ground state of the honeycomb layered compound Na2IrO3 opens the observed insulating gap through a long-range magnetic order. We show that the effect of SOC and the correction of self-interaction error inherent in previous local or semilocal DFT calculations play crucial roles in predicting the band gap formation in Na2IrO3. It is revealed that the itinerant AFM order with a strong suppression of the Ir magnetic moment is attributed to a considerable hybridization of the Ir 5d orbitals with the O 2p orbitals. Thus, our results suggest that the insulating phase of Na2IrO3 can be represented as a Slater insulator driven by itinerant magnetism.
- URI
- https://www.nature.com/articles/srep05253http://hdl.handle.net/20.500.11754/47417
- ISSN
- 2045-2322
- DOI
- 10.1038/srep05253
- Appears in Collections:
- COLLEGE OF NATURAL SCIENCES[S](자연과학대학) > PHYSICS(물리학과) > Articles
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