Evidence of Slater-type mechanism as origin of insulating state in Sr2IrO4
arXiv:1812.06241 · doi:10.1088/1361-648X/ab2841
Abstract
For iridates with large spatially extended 5d orbitals, it may be anticipated that distant neighbor interactions would play a crucial role in their ground state properties. From this perspective, we investigate the magnetic structure of Sr2IrO4 by including interactions beyond first and second neighbors, via super cell modeling. Adopting to first-principles scalar relativistic methods, it is found that the minimum in total energy among various magnetic structures correspond to a up-up-down-down type antiferromagnetic ordering of the Ir ions for which the magnitude of the electronic gap, that of the Ir local moments and, the facsimile of the two-peaked structure in the optical conductivity spectra of Sr2IrO4 were found to be in good agreement with the experiments. The results unequivocally evidence that the origin of the electronic gap in Sr2IrO4 is due to an unconventional antiferromagnetic ordering of Ir ions, thereby classifying the system as a Slater magnet, rather than the spin-orbit coupling driven Jeff = 1/2 Mott insulator.
References in corpus (17)
- Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
- Novel Jeff = 1/2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr2IrO4
- Localization and delocalization errors in density functional theory and implications for band-gap prediction
- Isospin Dynamics in Sr2IrO4 : Forging Links to Cuprate Superconductivity
- The magnetic and crystal structures of Sr2IrO4: A neutron diffraction study
- Lattice-Driven Magnetoresistivity and Metal-Insulator Transition in Single-Layered Iridates
- Spin-Orbit Integrated Ground State and Magnetic Anisotropy in SrIrO
- Dimensionality controlled Mott transition and correlation effects in single- and bi-layer perovskite iridates
- Anisotropic Magnetic Couplings and Structure-Driven Canted to Collinear Transitions in Spin-orbit Coupled Sr2IrO4
- Epitaxy-distorted spin-orbit Mott insulator in Sr2IrO4 thin films
- Local density of states study of a spin-orbit-coupling induced Mott insulator SrIrO
- Isotropic and Anisotropic Regimes of the Field-Dependent Spin Dynamics in Sr2IrO4: Raman Scattering Studies
- Bulk Nature of Layered Perovskite Iridates beyond the Mott Scenario : An Approach from Bulk Sensitive Photoemission Study
- The J_{eff}=1/2 insulator Sr3Ir2O7 studied by means of angle-resolved photoemission spectroscopy
- Model analysis of magnetic susceptibility of SrIrO - 2D = 1/2 Heisenberg system with competing interlayer couplings
- Optical anisotropy of the Jeff = 1/2 Mott insulator Sr2IrO4
- Time resolved photoemission of SrIrO