dynamical mean-field description based on spin-orbit entangled basis*

We investigate the ground state wavefunction and dynamical properties of Sr₂RuO₄ at zero temperature, using the density functional theory plus dynamical mean-field theory with the exact diagonalization solver. We especially focus on the interplay between the spin-orbit and Hund’s coupling by considering the full rotationally invariant Kanamori interaction Hamiltonian.
Near the Fermi level, the quasi-particles and low-lying excitations are well described by spin-orbit coupled basis. They exhibit a distinguished self-energy behavior that reflects the signature of the magnetic response and the orbital dependent-correlations of the Hund’s metal. We will discuss how these responses are related to the two-fold degeneracy of ground state.