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Tree tensor-network real-time multiorbital impurity solver: Spin-orbit coupling and correlation functions in Sr$_2$RuO$_4$

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 Added by Yi Lu
 Publication date 2021
  fields Physics
and research's language is English




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We present a tree tensor-network impurity solver suited for general multiorbital systems. The network is constructed to efficiently capture the entanglement structure and symmetry of an impurity problem. The solver works directly on the real-time/frequency axis and generates spectral functions with energy-independent resolution of the order of one percent of the correlated bandwidth. Combined with an optimized representation of the impurity bath, it efficiently solves self-consistent dynamical mean-field equations and calculates various dynamical correlation functions for systems with off-diagonal Greens functions. For the archetypal correlated Hunds metal Sr$_2$RuO$_4$, we show that both the low-energy quasiparticle spectra related to the van Hove singularity and the high-energy atomic multiplet excitations can be faithfully resolved. In particular, we show that while the spin-orbit coupling has only minor effects on the orbital-diagonal one-particle spectral functions, it has a more profound impact on the low-energy spin and orbital response functions.

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We discovered a fractional Chern structure in chiral superconducting Sr$_2$RuO$_4$ nanofilms by employing electric transport. By using Sr$_2$RuO$_4$ single crystals with nanoscale thickness, a fractional Hall conductance was observed without an external magnetic field. The Sr$_2$RuO$_4$ nanofilms enhanced the superconducting transition temperature to about 3 K. We found an anomalous induced voltage with temperature and thickness dependence, and the switching behavior of the induced voltage appeared when we applied a magnetic field. We suggest that there was fractional magnetic-field-induced electric polarization in the interlayer. These anomalous results are related to topological invariance. The fractional axion angle $theta=pi/6$ is determined by observing the topological magneto-electric effect in Sr$_2$RuO$_4$ nanofilms.
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.
We report a polarization-resolved Raman spectroscopy study of the orbital dependence of the quasiparticles properties in the prototypical multi-band Fermi liquid Srtextsubscript{2}RuOtextsubscript{4}. We show that the quasiparticle scattering rate displays $omega^{2}$ dependence as expected for a Fermi liquid. Besides, we observe a clear polarization-dependence in the energy and temperature dependence of the quasiparticle scattering rate and mass, with the $d_{xz/yz}$ orbital derived quasiparticles showing significantly more robust Fermi liquid properties than the $d_{xy}$ orbital derived ones. The observed orbital dichotomy of the quasiparticles is consistent with the picture of Srtextsubscript{2}RuOtextsubscript{4} as a Hunds metal. Our study establishes Raman scattering as a powerful probe of Fermi liquid properties in correlated metals.
The single-layered ruthenate Sr$_2$RuO$_4$ is one of the most enigmatic unconventional superconductors. While for many years it was thought to be the best candidate for a chiral $p$-wave superconducting ground state, desirable for topological quantum computations, recent experiments suggest a singlet state, ruling out the original $p$-wave scenario. The superconductivity as well as the properties of the multi-layered compounds of the ruthenate perovskites are strongly influenced by a van Hove singularity in proximity of the Fermi energy. Tiny structural distortions move the van Hove singularity across the Fermi energy with dramatic consequences for the physical properties. Here, we determine the electronic structure of the van Hove singularity in the surface layer of Sr$_2$RuO$_4$ by quasiparticle interference imaging. We trace its dispersion and demonstrate from a model calculation accounting for the full vacuum overlap of the wave functions that its detection is facilitated through the octahedral rotations in the surface layer.
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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