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 Néel temperature (TN), which reveals that Na2IrO3 is classified as a Mott-type insulator. The measured photoemission spectrum in the paramagnetic state is well described by the electronic structure obtained by the DFT+DMFT for the insulating state above TN. The analysis of optical conductivity, however, suggests that the nonlocal correlation effect is also important in Na2IrO3. Therefore, Na2IrO3 is not a standard Mott insulator in that the extended nature and the nonlocal correlation effect of Ir 5d electrons are important as well in describing its electronic and magnetic properties.
| Original language | English |
|---|---|
| Article number | 195135 |
| Journal | Physical Review B |
| Volume | 93 |
| Issue number | 19 |
| DOIs | |
| State | Published - 2016.05.18 |
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