We have studied the ground state properties of a two-dimensional three-orbital Hubbard model as an effective lowenergy model for a novel 5d Mott insulator, Sr2IrO4. The transition from the paramagnetic metal to the magnetic insulator with an in-plane antiferromagnetic order is successfully described by using the variational Monte Carlo method. The momentum distribution function is calculated for system sizes up to 16×16 sites, which makes it possible to discuss the metal-insulator transition in detail.
- 5d electron system
- Spin-orbit coupling
- Spin-orbit-induced Mott insulator
- Three-orbital Hubbard model
- Variational Monte Carlo method
ASJC Scopus subject areas
- General Physics and Astronomy