Hidden covalent insulator and spin excitations in SrRu2O6

The density functional plus dynamical mean-field theory is used to study the spin excitation spectra of SrRu2O6. A good quantitative agreement with experimental spin excitation spectra is found. Depending on the size of the Hund's coupling JH, the system chooses either the Mott insulator or covalent insulator state when magnetic ordering is not allowed. We find that the nature of the paramagnetic state has a negligible influence on the charge and spin excitation spectra. We find that antiferromagnetic correlations hide the covalent insulator state for realistic choices of the interaction parameters.

Automated summary

The spin excitation spectra of SrRu2O6 are studied using density functional plus dynamical mean-field theory, and a good quantitative agreement with experimental results is found. Depending on the size of the Hund's coupling JH, the system exhibits either a Mott insulator or covalent insulator state when magnetic ordering is not allowed. The nature of the paramagnetic state has a negligible influence on the charge and spin excitation spectra, while antiferromagnetic correlations hide the covalent insulator state for realistic choices of the interaction parameters.