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Register a new userModeling multiorbital effects in Sr2IrO4 under strain and a Zeeman field
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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.
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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 epitaxial strain to modify the Ir-O bond geometry in Sr2IrO4 and perform momentum-dependent Resonant Inelastic X-ray Scattering (RIXS) at the metal and at the ligand sites to unveil the response of the low energy elementary excitations. We observe that the pseudospin-wave dispersion for tensile-strained Sr2IrO4 films displays large softening along the [h,0] direction, while along the [h,h] direction it shows hardening. This evolution reveals a renormalization of the magnetic interactions caused by a strain-driven crossover from anisotropic to isotropic interactions between the magnetic moments. Moreover, we detect dispersive electron-hole pair excitations which shift to lower (higher) energies upon compressive (tensile) strain, manifesting a reduction (increase) in the size of the charge gap. This behavior shows an intimate coupling between charge excitations and lattice distortions in Sr2IrO4, originating from the modified hopping elements between the t2g orbitals. Our work highlights the central role played by the lattice degrees of freedom in determining both the pseudospin and charge excitations of Sr2IrO4 and provides valuable information towards the control of the ground state of complex oxides in the presence of high spin-orbit coupling.
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 Sr2IrO4 by over 50%, enabling electrical switching of the transition. Resonant x-ray scattering and model simulation reveal that the transition is completely tuned from the spin-flop to spin-flip type as the strain introduces C4-symmetry-breaking magnetic anisotropy. Simultaneous transport study indicates the metamagnetic responses are reflected in the large elasto- and magnetoconductance, highlighting the active charge degree of freedom in the spin-orbit-coupled Mott state and its potential for spin-electronics.
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 tetragonal (C4) to orthorhombic (C2), guiding the Ir 5d Jeff = 1/2 pseudospin moment parallel to the elongated b-axis via magnetic anisotropy. From resonant X-ray scattering experiments, we observed an antiferromagnetic order in the orthorhombic Sr2IrO4 film whose interlayer stacking pattern is inverted from that of the tetragonal Sr2IrO4 crystal. This interlayer stacking is similar to that of the orthorhombic La2CuO4, implying that the asymmetric interlayer exchange interaction along a and b-directions exceeds the anisotropic interlayer pseudo-dipolar interaction. Our result suggests that strain-induced distortion can provide a delicate knob for tuning the long-range magnetic order in quasi-two-dimensional systems by evoking the competition between the interlayer exchange coupling and the pseudo-dipolar interaction.
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 strong spin-orbit coupling affects the magnetic properties of iridates. Here, we present a high-resolution inelastic light (Raman) scattering study of the low energy magnetic excitation spectrum of Sr2IrO4 and doped Eu-doped Sr2IrO4 as functions of both temperature and applied magnetic field. We show that the high-field (H>1.5 T) in-plane spin dynamics of Sr2IrO4 are isotropic and governed by the interplay between the applied field and the small in-plane ferromagnetic spin components induced by the Dzyaloshinskii-Moriya interaction. However, the spin dynamics of Sr2IrO4 at lower fields (H<1.5 T) exhibit important effects associated with interlayer coupling and in-plane anisotropy, including a spin-flop transition at Hc in Sr2IrO4 that occurs either discontinuously or via a continuous rotation of the spins, depending upon the in-plane orientation of the applied field. These results show that in-plane anisotropy and interlayer coupling effects play important roles in the low-field magnetic and dynamical properties of Sr2IrO4.
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-binding model, and we employ the slave-spin method to treat the electron correlation. We find that while stretching the system along the rutile $c$-axis results in a band structure favoring an anisotropic orbital fillings, the electron correlation favors an equal electron filling among $t_{2g}$ orbitals. These two distinct effects cooperatively induce interesting orbital-dependent redistributions of the electron occupations and the spectral weights, which pushes the strained VO$_2$ toward an orbital selective Mott transition (OSMT). The simulated single-particle spectral functions are directly compared to V L-edge resonant X-ray photoemission spectroscopy of epitaxial 10 nm VO$_2$/TiO$_2$ (001) and (100) strain orientations. Excellent agreement is observed between the simulations and experimental data regarding the strain-induced evolution of the lower Hubbard band. Simulations of rutile NbO$_2$ under similar strain conditions as VO$_2$ are performed, and we predict that OSMT will not occur in rutile NbO$_2$. Our results indicates that the electron correlation in VO$_2$ is important and can be modulated even in the rutile phase before the Peierls instability sets in.
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