E138-02 - Forschungsbereich Correlations: Theory and Experiments
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Journal:
Physical Review B
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ISSN:
2469-9950
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Date (published):
17-Nov-2023
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Number of Pages:
7
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Publisher:
AMER PHYSICAL SOC
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Peer reviewed:
Yes
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Keywords:
dynamical mean field theory; spin exitation spectra; Mott insulator
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Abstract:
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.
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Project title:
Quantum phase transitions and collective modes: I 5868-N (FWF - Österr. Wissenschaftsfonds)
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Project (external):
Czech Science Foundation JSPS KAKENHI Grant JSPS KAKENHI Grant JSPS KAKENHI Grant JSPS KAKENHI Grant JSPS KAKENHI Grant Ministry of Education, Youth and Sports of the Czech Republic
