Electron Correlations, Spin-Orbit Coupling, and Antiferromagnetic Anisotropy in Layered Perovskite Iridates Sr2IrO4
Zhou Hao1, 2, Xu Yuan-Yuan1, 2, Zhou Sen1, 2, 3, †
       

Magnetic phase diagram as a function of J/U and U for the five-orbital Hubbard model at n = 5 with λ SOC = 357 meV . The grey-shaded regime corresponds to the PM phase, the green-shaded area denotes the collinear z-AFM phase, and the rest unshaded regime is for the in-plane canted AFM phase. The dashed line separating the light-green and dark-green shaded areas indicates a spin-state transition from low-spin state to high-spin state in the z-AFM phase, and the nearby dotted line corresponding to J = 0.73 eV. The inset shows the schematics of the in-plane canted AFM moments on the Ir square lattice with a two-dimensional rendering of the staggered IrO6 octahedral rotation.