Theoretical study of insulating mechanism in multiorbital Hubbard models with a large spin-orbit coupling: Slater versus Mott scenario in Sr2 IrO4

@article{Watanabe2014TheoreticalSO,
  title={Theoretical study of insulating mechanism in multiorbital Hubbard models with a large spin-orbit coupling: Slater versus Mott scenario in Sr2 IrO4},
  author={Hiroshi Watanabe and Tomonori Shirakawa and Seiji Yunoki},
  journal={Physical Review B},
  year={2014},
  volume={89},
  pages={165115}
}
To examine the insulating mechanism of 5$d$ transition metal oxide Sr$_2$IrO$_4$, we study the ground state properties of a three-orbital Hubbard model with a large relativistic spin-orbit coupling on a square lattice. Using a variational Monte Carlo method, we find that the insulating state appearing in the ground state phase diagram for one hole per site varies from a weakly correlated to a strongly correlated antiferromagnetic (AF) state with increasing Coulomb interactions. This crossover… 

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* Electronic address: h-watanabe@riken

    The results shown here are calculated for L = 20. However, we have checked that the results are semiquantitatively the same for different system sizes of L = 14