Orbital Isotropy of Magnetic Fluctuations in Correlated Electron Materials Induced by Hund's Exchange Coupling

Characterizing nonlocal magnetic fluctuations in materials with strong electronic Coulomb interactions remains one of the major outstanding challenges of modern condensed matter theory. In this Letter, we address the spatial symmetry and orbital structure of magnetic fluctuations in perovskite materials. To this aim, we develop a consistent multiorbital diagrammatic extension of dynamical mean-field theory, which we apply to an anisotropic three-orbital model of cubic t(2g) symmetry. We find that the form of spatial spin fluctuations is governed by the local Hund's coupling. For small values of the coupling, magnetic fluctuations are anisotropic in orbital space, which reflects the symmetry of the considered t(2g) model. Large Hund's coupling enhances collective spin excitations, which mixes orbital and spatial degrees of freedom, and magnetic fluctuations become orbitally isotropic. Remarkably, this effect can be seen only in two-particle quantities; single-particle observables remain anisotropic for any value of the Hund's coupling. Importantly, we find that the orbital isotropy can be induced both at half filling and for the case of four electrons per lattice site, where the magnetic instability is associated with different, antiferromagnetic and ferromagnetic, modes, respectively.

Automated summary

This study investigates the spatial symmetry and orbital structure of magnetic fluctuations in perovskite materials using a consistent multiorbital diagrammatic extension of dynamical mean-field theory. The findings reveal that the local Hund's coupling plays a significant role in determining the form of spatial spin fluctuations, with small coupling leading to anisotropic fluctuations and large coupling enhancing collective spin excitations. Additionally, the study demonstrates that orbital isotropy can be induced under certain conditions, impacting the magnetic instability of the system.