Novel J_eff = 1/2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr_2IrO_4

Novel J_eff = 1/2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr_2IrO_4

20 Mar 2008 | B. J. Kim, Hosub Jin, S. J. Moon, J.-Y. Kim, B.-G. Park, C. S. Leem, Jaeju Yu, T. W. Noh, C. Kim, S.-J. Oh, J.-H. Park, V. Durairaj, G. Cao, and E. Rotenberg
The study investigates the electronic structure of the 5$d$ transition-metal oxide Sr$_2$IrO$_4$ using various spectroscopic techniques and first-principles calculations. The system is found to exhibit novel effective total angular momentum ($J_{eff}$) states, where relativistic spin-orbit (SO) coupling plays a crucial role under a large crystal field. Despite the delocalized 5$d$ states, the $J_{eff}$-states form narrow bands that lead to a $J_{eff} = 1/2$ Mott ground state with unique electronic and magnetic properties. This suggests a new class of $J_{eff}$ quantum spin-driven correlated-electron phenomena. The formation of these $J_{eff}$ bands is well-supported by first-principles calculations, which predict a half-filled $J_{eff} = 1/2$ single band system with a Mott gap. The ARPES, optical conductivity, and X-ray absorption spectroscopy (XAS) results confirm the presence of a $J_{eff} = 1/2$ Mott state, characterized by a sharp peak at around 0.5 eV and a broad peak at around 1 eV in the optical conductivity, and an orbital ratio of $xy : yz : zx = 1 : 1 : 1$ in the O 1s XAS spectra. The magnetic properties of the system are also discussed, showing weak ferromagnetism with a canted antiferromagnetic order. This work highlights the importance of strong SO coupling in driving the Mott instability in 5$d$ transition-metal oxides, leading to a new class of materials with unique electronic and magnetic behaviors.The study investigates the electronic structure of the 5$d$ transition-metal oxide Sr$_2$IrO$_4$ using various spectroscopic techniques and first-principles calculations. The system is found to exhibit novel effective total angular momentum ($J_{eff}$) states, where relativistic spin-orbit (SO) coupling plays a crucial role under a large crystal field. Despite the delocalized 5$d$ states, the $J_{eff}$-states form narrow bands that lead to a $J_{eff} = 1/2$ Mott ground state with unique electronic and magnetic properties. This suggests a new class of $J_{eff}$ quantum spin-driven correlated-electron phenomena. The formation of these $J_{eff}$ bands is well-supported by first-principles calculations, which predict a half-filled $J_{eff} = 1/2$ single band system with a Mott gap. The ARPES, optical conductivity, and X-ray absorption spectroscopy (XAS) results confirm the presence of a $J_{eff} = 1/2$ Mott state, characterized by a sharp peak at around 0.5 eV and a broad peak at around 1 eV in the optical conductivity, and an orbital ratio of $xy : yz : zx = 1 : 1 : 1$ in the O 1s XAS spectra. The magnetic properties of the system are also discussed, showing weak ferromagnetism with a canted antiferromagnetic order. This work highlights the importance of strong SO coupling in driving the Mott instability in 5$d$ transition-metal oxides, leading to a new class of materials with unique electronic and magnetic behaviors.
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Understanding Novel Jeff%3D1%2F2 Mott state induced by relativistic spin-orbit coupling in Sr2IrO4.