LiV2O4: Hund-Assisted Orbital-Selective Mottness
Fuente:
arXiv
Gespeichert in:
| Hauptverfasser: | , , , , , |
|---|---|
| Format: | Preprint |
| Veröffentlicht: |
2024
|
| Schlagworte: | |
| Online-Zugang: | |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| _version_ | 1866912560747380736 |
|---|---|
| author | Grundner, Martin Kugler, Fabian B. Parcollet, Olivier Schollwöck, Ulrich Georges, Antoine Hampel, Alexander |
| author_facet | Grundner, Martin Kugler, Fabian B. Parcollet, Olivier Schollwöck, Ulrich Georges, Antoine Hampel, Alexander |
| contents | We show that the remarkably small Fermi-liquid coherence scale and large effective mass observed in LiV$_2$O$_4$ are due to the proximity of a Hund-assisted orbital-selective Mott state. Our work is based on an ab initio dynamical mean-field approach, combining several quantum impurity solvers to capture the physics from high to very low temperature. We find that the Hund coupling plays a crucial role in rearranging the orbital populations and in generating the heavy mass and low coherence scale. The latter is found to be approximately 1-2 Kelvin, even though the most correlated orbital is found to be significantly doped ~10% away from half-filling. A flat quasiparticle band appears near the Fermi level as a result of the strong electronic correlations. Finally, we discuss our results in comparison to experiments. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2409_17268 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | LiV2O4: Hund-Assisted Orbital-Selective Mottness Grundner, Martin Kugler, Fabian B. Parcollet, Olivier Schollwöck, Ulrich Georges, Antoine Hampel, Alexander Strongly Correlated Electrons Materials Science We show that the remarkably small Fermi-liquid coherence scale and large effective mass observed in LiV$_2$O$_4$ are due to the proximity of a Hund-assisted orbital-selective Mott state. Our work is based on an ab initio dynamical mean-field approach, combining several quantum impurity solvers to capture the physics from high to very low temperature. We find that the Hund coupling plays a crucial role in rearranging the orbital populations and in generating the heavy mass and low coherence scale. The latter is found to be approximately 1-2 Kelvin, even though the most correlated orbital is found to be significantly doped ~10% away from half-filling. A flat quasiparticle band appears near the Fermi level as a result of the strong electronic correlations. Finally, we discuss our results in comparison to experiments. |
| title | LiV2O4: Hund-Assisted Orbital-Selective Mottness |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/2409.17268 |