Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2011-07-05
Phys. Rev. Lett. 108, 086403 (2012)
Physics
Condensed Matter
Strongly Correlated Electrons
5 pages, 3 figures
Scientific paper
10.1103/PhysRevLett.108.86403
{\it Ab initio} analyses of A$_2$IrO$_4$ (A=Sr, Ba) are presented. Effective Hubbard-type models for Ir 5$d$ $t_{2g}$ manifolds downfolded from the global band structure are solved based on the dynamical mean-field theory. The results for A=Sr and Ba correctly reproduce paramagnetic metals undergoing continuous transitions to insulators below the N\'eel temperature $T_N$. These compounds are classified not into Mott insulators but into Slater insulators. However, the insulating gap opens by a synergy of the Neel order and significant band renormalization, which is also manifested by a 2D bad metallic behavior in the paramagnetic phase near the quantum criticality.
Arita Ryotaro
Eguiluz Adolfo G.
Imada Masatoshi
Kozhevnikov A. V.
Kunes Jan
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