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Register a new userSpin-orbit and anisotropic strain effects on the electronic correlations of Sr$_2$RuO$_4$
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We present an implementation of the rotationally invariant slave boson technique as an impurity solver for density functional theory plus dynamical mean field theory (DFT+DMFT). Our approach provides explicit relations between quantities in the local correlated subspace treated with DMFT and the Bloch basis used to solve the DFT equations. In particular, we present an expression for the mass enhancement of the quasiparticle states in reciprocal space. We apply the method to the study of the electronic correlations in Sr$_2$RuO$_4$ under anisotropic strain. We find that the spin-orbit coupling plays a crucial role in the mass enhancement differentiation between the quasi-one-dimensional $alpha$ and $beta$ bands, and on its momentum dependence over the Fermi surface. The mass enhancement, however, is only weakly affected by either uniaxial or biaxial strain, even across the Lifshitz transition induced by the strain.
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We analyze the spin anisotropy of the magnetic susceptibility of Sr$_2$RuO$4$ in presence of spin-orbit coupling and anisotropic strain using quasi-two-dimensional tight-binding parametrization fitted to the ARPES results. Similar to the previous observations we find the in-plane polarization of the low ${bf q}$ magnetic fluctuations and the out-of-plane polarization of the incommensurate magnetic fluctuation at the nesting wave vector ${bf Q}_1 = (2/3 pi ,2/3 pi)$ but also nearly isotropic fluctuations near ${bf Q}_2=(pi/6,pi/6)$. Furthermore, one finds that apart from the high-symmetry direction of the tetragonal Brillouin zone the magnetic anisotropy is maximal, i.e. $chi^{xx} eq chi^{yy} eq chi^{zz}$. This is the consequence of the orbital anisotropy of the $xz$ and $yz$ orbitals in the momentum space. We also study how the magnetic anisotropy evolves in the presence of the strain and find strong Ising-like ferromagnetic fluctuations near the Lifshitz transition for the $xy$-band.
The importance of electronic correlation effects in the layered perovskite Sr$_2$RuO$_4$ is evidenced. To this end we use state-of-the-art LDA+DMFT (Local Density Approximation + Dynamical Mean-Field Theory) in the basis of Wannier functions to compute spectral functions and the quasiparticle dispersion of Sr$_2$RuO$_4$. The spectra are found to be in good agreement with various spectroscopic experiments. We also calculate the $textbf{k}$-dependence of the quasiparticle bands and compare the results with new angle resolved photoemission (ARPES) data. Two typical manifestations of strong Coulomb correlations are revealed: (i) the calculated quasiparticle mass enhancement of $m^*/m approx2.5$ agrees with various experimental results, and (ii) the satellite structure at about 3 eV binding energy observed in photoemission experiments is shown to be the lower Hubbard band. For these reasons Sr$_2$RuO$_4$ is identified as a strongly correlated 4$d$ electron material.
We report the synthesis of Ca$_2$RuO$_4$ thin films on NdCaAlO$_{4}$ (110), LaAlO$_3$ (100) and LaSrAlO$_4$ (001) substrates and show that epitaxial strain induces a transition from the Mott-insulating phase of bulk Ca$_2$RuO$_4$ into a metallic phase. Magnetometry and spin-polarized neutron reflectometry reveal a low-temperature, small-moment ferromagnetic state in metallic Ca$_2$RuO$_4$ films.
Sr$_2$RuO$_4$ is a leading candidate for chiral $p$-wave superconductivity. The detailed mechanism of superconductivity in this material is still the subject of intense investigations. Since superconductivity is sensitive to the topology of the Fermi surface (the contour of zero-energy quasi-particle excitations in the momentum space in the normal state), changing this topology can provide a strong test of theory. Recent experiments tuned the Fermi surface topology efficiently by applying planar anisotropic strain. Using functional renormalization group theory, we study the superconductivity and competing orders in Sr$_2$RuO$_4$ under strain. We find a rapid initial increase in the superconducting transition temperature $T_c$, which can be associated with the evolution of the Fermi surface toward a Lifshitz reconstruction under increasing strain. Before the Lifshitz reconstruction is reached, however, the system switches from the superconducting state to a spin density wave state. The theory agrees well with recent strain experiments showing an enhancement of $T_c$ followed by an intriguing sudden drop.
We use Ru $L_3$-edge (2838.5 eV) resonant inelastic x-ray scattering (RIXS) to quantify the electronic structure of Ca$_2$RuO$_4$, a layered $4d$-electron compound that exhibits a correlation-driven metal-insulator transition and unconventional antiferromagnetism. We observe a series of Ru intra-ionic transitions whose energies and intensities are well described by model calculations. In particular, we find a $rm{J}=0rightarrow 2$ spin-orbit excitation at 320 meV, as well as Hunds-rule driven $rm{S}=1rightarrow 0$ spin-state transitions at 750 and 1000 meV. The energy of these three features uniquely determines the spin-orbit coupling, tetragonal crystal-field energy, and Hunds rule interaction. The parameters inferred from the RIXS spectra are in excellent agreement with the picture of excitonic magnetism that has been devised to explain the collective modes of the antiferromagnetic state. $L_3$-edge RIXS of Ru compounds and other $4d$-electron materials thus enables direct measurements of interactions parameters that are essential for realistic model calculations.
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