| Autor: |
Hariki, Atsushi, Yamaguchi, Tatsuya, Winder, Mathias, Kuneš, Jan |
| Rok vydání: |
2019 |
| Předmět: |
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| Zdroj: |
J. Phys. Soc. Jpn. 93, 104702 (2024) |
| Druh dokumentu: |
Working Paper |
| DOI: |
10.7566/JPSJ.93.104702 |
| Popis: |
We study structurally-triggered metal-insulator transition in CaCu$_3$Fe$_4$O$_{12}$ by means of local density approximation (LDA) +$U$ and LDA+dynamical mean-field theory (DMFT). The ferrimagnetic insulating phase is essentially the same within both approaches. While LDA+$U$ describes the metal-insulator transition as a Peierls-like instability driven by Fermi surface nesting in the magnetically ordered phase, LDA+DMFT allows also the site-selective Mott transition without magnetic ordering as well as smooth crossover between the two pictures. We point out similarities and differences to rare-earth nickelates. |
| Databáze: |
arXiv |
| Externí odkaz: |
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