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We present a comprehensive study of a three-orbital lattice model suitable for the layered iridate Sr2IrO4. Our analysis includes various on-site interactions (including Hubbard and Hunds) as well as compressive strain, and a Zeeman magnetic field. We use a self-consistent mean field approach with multiple order parameters to characterize the resulting phases. While in some parameter regimes the compound is well described by an effective J=1/2 model, in other regimes the full multiorbital description is needed. As a function of the compressive strain, we uncover two quantum phase transitions: first a continuous metal-insulator transition, and subsequently a first order magnetic melting of the antiferromagnetic order. Crucially, bands of both J=1/2 and J=3/2 nature play important roles in these transitions. Our results qualitatively agree with experiments of Sr2IrO4 under strain induced by a substrate, and motivate the study of higher strains.
In the high spin-orbit coupled Sr2IrO4, the high sensitivity of the ground state to the details of the local lattice structure shows a large potential for the manipulation of the functional properties by inducing local lattice distortions. We use epi
Metamagnetism in antiferromagnets exhibits distinct critical behaviors and dynamics when invoking spin reversal and rotation. Here we show a 0.05% anisotropic strain suffices to in-situ modulate the metamagnetic critical field of the Mott insulator S
We report a La2CuO4-like interlayer antiferromagnetic order in Sr2IrO4 films with large orthorhombic distortion (> 1.5%). The biaxial lattice strain in epitaxial heterostructures of Sr2IrO4/Ca3Ru2O7 lowers the crystal symmetry of Sr2IrO4 from tetrago
A major focus of experimental interest in Sr2IrO4 has been to clarify how the magnetic excitations of this strongly spin-orbit coupled system differ from the predictions of anisotropic 2D spin-1/2 Heisenberg model and to explore the extent to which s
We investigate the electronic structure of the epitaxial VO$_2$ films in the rutile phase using the density functional theory combined with the slave spin method (DFT+SS). In DFT-SS, the multiorbital Hubbard interactions are added to a DFT-fit tight-