Spin-orbit and anisotropic strain effects on the electronic correlations of Sr${}_2$RuO${}_4$

Abstract

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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• Multiorbital processes rule the Nd${}_{1-x}$Sr${}_x$NiO${}_2$ normal state
• A key role of correlation effects in the Lifshitz transition in Sr${}_2$RuO${}_4$
• Interplay between spin-orbit coupling and van Hove singularity in the Hund's metallicity of Sr${}_2$RuO${}_4$
• Spin-orbit coupling and correlations in three-orbital systems
• Accuracy of ghost-rotationally-invariant slave-boson theory for multiorbital Hubbard models and realistic materials
• Metal-insulator transition and local-moment collapse in negative charge-transfer CaFeO${}_3$ under pressure
• Charge self-consistent density functional theory plus ghost rotationally-invariant slave-boson theory for correlated materials
• Hund's metal regimes and orbital selective Mott transitions in three band systems
• Efficient slave-boson approach for multiorbital two-particle response functions and superconductivity
• Strong effects of thermally induced low-spin-to-high-spin crossover on transport properties of correlated metals