Hidden covalent insulator and spin excitations in SrRu2O6

• Autoři: CSONTOSOVÁ Diana; CHALOUPKA Jiří; SHINAOKA Hiroshi; HARIKI Atsushi; KUNEŠ Jan
• Rok publikování: 2023
• Druh: Článek v odborném periodiku
• Časopis / Zdroj: Physical Review B
• Fakulta / Pracoviště MU: Přírodovědecká fakulta
• www: https://doi.org/10.1103/PhysRevB.108.195137
• Doi: http://dx.doi.org/10.1103/PhysRevB.108.195137
• Klíčová slova: Magnons; Strongly correlated systems; Hubbard model; Electron-correlation calculations
• Popis: 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.

Související projekty

• Pohybliví nositelé náboje v exotických magnetech se spin-orbitálním propletením