Topological Quantum Phase Transition in 5d Transition Metal Oxide Na2IrO3
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- Topological Quantum Phase Transition in 5d Transition Metal Oxide Na2IrO3
- Kim, Choong H; Kim, Heung Sik; Jeong, Hogyun; Jin, Hosub; Yu, Jaejun
- 5d transition metals; Candidate materials; Crystal fields; First-principles calculation; Interlayer distance; Nontrivial topology; Quantum phase transitions; Strong electron correlations; Tight-binding Hamiltonians; Topological insulators
- Issue Date
- AMER PHYSICAL SOC
- PHYSICAL REVIEW LETTERS, v.108, no., pp.106401 -
- We predict a quantum phase transition from normal to topological insulators in the 5d transition metal oxide Na 2IrO 3, where the transition can be driven by the change of the long-range hopping and trigonal crystal field terms. From the first-principles-derived tight-binding Hamiltonian, we determine the phase boundary through the parity analysis. In addition, our first-principles calculations for Na 2IrO 3 model structures show that the interlayer distance can be an important parameter for the existence of a three-dimensional strong topological insulator phase. Na 2IrO 3 is suggested to be a candidate material which can have both a nontrivial topology of bands and strong electron correlations. © 2012 American Physical Society.
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