Metal-insulator transition in CaCu$_3$Fe$_4$O$_{12}$
Fuente:
arXiv
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| Autori principali: | , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2019
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| _version_ | 1866914958094106624 |
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| author | Hariki, Atsushi Yamaguchi, Tatsuya Winder, Mathias Kuneš, Jan |
| author_facet | Hariki, Atsushi Yamaguchi, Tatsuya Winder, Mathias Kuneš, Jan |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_1909_12126 |
| institution | arXiv |
| publishDate | 2019 |
| record_format | arxiv |
| spellingShingle | Metal-insulator transition in CaCu$_3$Fe$_4$O$_{12}$ Hariki, Atsushi Yamaguchi, Tatsuya Winder, Mathias Kuneš, Jan Strongly Correlated Electrons Materials Science 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. |
| title | Metal-insulator transition in CaCu$_3$Fe$_4$O$_{12}$ |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/1909.12126 |