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Metal-insulator transition in CaCu$_3$Fe$_4$O$_{12}$

Authors :
Hariki, Atsushi
Yamaguchi, Tatsuya
Winder, Mathias
Kuneš, Jan
Source :
J. Phys. Soc. Jpn. 93, 104702 (2024)
Publication Year :
2019

Abstract

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.

Details

Database :
arXiv
Journal :
J. Phys. Soc. Jpn. 93, 104702 (2024)
Publication Type :
Report
Accession number :
edsarx.1909.12126
Document Type :
Working Paper
Full Text :
https://doi.org/10.7566/JPSJ.93.104702