English

Hidden covalent insulator and spin excitations in SrRu$_2$O$_6$

Strongly Correlated Electrons 2023-11-28 v2 Materials Science

Abstract

The density functional plus dynamical mean-field theory is used to study the spin excitation spectra of SrRu2_2O6_6. A good quantitative agreement with experimental spin excitation spectra is found. Depending on the size of the Hund's coupling JHJ_H the systems chooses either Mott insulator or covalent insulator state when magnetic ordering is not allowed. We find that the nature of the paramagnetic state has 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.

Keywords

Cite

@article{arxiv.2305.19826,
  title  = {Hidden covalent insulator and spin excitations in SrRu$_2$O$_6$},
  author = {D. Csontosová and J. Chaloupka and H. Shinaoka and A. Hariki and J. Kuneš},
  journal= {arXiv preprint arXiv:2305.19826},
  year   = {2023}
}

Comments

8 pages, 7 figures