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Magnetic properties of half metal studied by the DFT+DMFT approach in paramagnetic phase: the case of CrO2
by Andrey A. Katanin
Submission summary
| Authors (as registered SciPost users): | Andrey Katanin |
| Submission information | |
|---|---|
| Preprint Link: | scipost_202407_00014v1 (pdf) |
| Date submitted: | 2024-07-09 16:26 |
| Submitted by: | Katanin, Andrey |
| Submitted to: | SciPost Physics |
| Ontological classification | |
|---|---|
| Academic field: | Physics |
| Specialties: |
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| Approaches: | Theoretical, Computational |
Abstract
Magnetic properties of CrO$_2$ are studied within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase. While the magnon dispersion in the 3-orbital model, containing only $t_{2g}$ states, possesses negative branches in accordance with previous studies in ferromagnetic phase, this drawback is removed in the $5$-orbital model, including all $d$-states. The model including oxygen states (with purely local interaction at chromium sites) overestimates the exchange interactions and spin wave stiffness, pointing to important contributions of double exchange in CrO$_2$.
Author indications on fulfilling journal expectations
- Provide a novel and synergetic link between different research areas.
- Open a new pathway in an existing or a new research direction, with clear potential for multi-pronged follow-up work
- Detail a groundbreaking theoretical/experimental/computational discovery
- Present a breakthrough on a previously-identified and long-standing research stumbling block
Current status:
In refereeing