The Insulating Nature of Na2IrO3: Mott-type or Slater-type?

Abstract

We have investigated temperature-dependent electronic structures of Na2IrO3 to unravel its insulating nature. Employing the combined scheme of the density-functional theory (DFT) and the dynamical mean-field theory (DMFT), we have shown that the insulating state persists even above the Neel temperature (T_{N}), which reveals that Na2IrO3 is classified into a Mott-type insulator. The measured photoemission spectrum in the paramagnetic (PM) state is well described by the electronic structure obtained from the DFT+DMFT for the insulating state above T_{N}. The analysis of optical conductivity, however, suggests that the non-local correlation effect is also important in Na2IrO3. Therefore, Na2IrO3 is not to be a standard Mott insulator in that the extended nature and the non-local correlation effect of Ir 5d electrons are important as well in describing its electronic and magnetic properties.

5 pages, 4 figures

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Cited by in corpus (7)

• Challenges in Design of Kitaev Materials: Magnetic Interactions from Competing Energy Scales
• From a quasimolecular band insulator to a relativistic Mott insulator in $t_{2g}^5$ systems with a honeycomb lattice structure
• High-pressure versus isoelectronic doping effect on the honeycomb iridate Na${}_2$IrO${}_3$
• Magnetism and electrical transport in Y-doped layered iridate Sr${}_2$IrO${}_4$
• Spin waves and stability of zigzag order in the Hubbard model with spin-dependent hopping terms - Application to the honeycomb lattice compounds $\mathrm{N}{\mathrm{a}}_2\mathrm{Ir}{\mathrm{O}}_3$ and $\alpha -\mathrm{RuC}{\mathrm{l}}_3$
• Topological property of a $t_{2g}^5$ system with a honeycomb lattice structure
• Mott Gap Softening Coinciding with Spin Correlations Collapse in a-RuCl3