Highly correlated electronic state in a ferrimagnetic quadruple perovskite CuCu$_3$Fe$_2$Re$_2$O$_{12}$

Fuente: arXiv
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Autores principales: Poteryaev, A. I., Pchelkina, Z. V., Streltsov, S. V., Long, Y., Irkhin, V. Yu.
Formato: Preprint
Publicado: 2025
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author Poteryaev, A. I.
Pchelkina, Z. V.
Streltsov, S. V.
Long, Y.
Irkhin, V. Yu.
author_facet Poteryaev, A. I.
Pchelkina, Z. V.
Streltsov, S. V.
Long, Y.
Irkhin, V. Yu.
contents Recently synthesized quadruple perovskite CuCu$_3$Fe$_2$Re$_2$O$_{12}$ possesses strong ferromagnetism and unusual electron properties, including enhanced electronic specific heat. Application of the first principles electronic structure approaches unambiguously shows importance of the many-body effects in this compound. While CuCu$_3$Fe$_2$Re$_2$O$_{12}$ is half-metallic ferrimagnet in the DFT+U method, in the density functional theory (DFT) combined with the dynamical mean-field theory (DMFT) it appears to be a metal. Strong correlations lead to a renormalization of electronic spectrum and formation of incoherent states close to the Fermi level. Electronic specific heat and magnetic properties obtained in the DFT+DMFT approach are in better agreement with available experimental data than derived by other band structure techniques.
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id arxiv_https___arxiv_org_abs_2502_17153
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Highly correlated electronic state in a ferrimagnetic quadruple perovskite CuCu$_3$Fe$_2$Re$_2$O$_{12}$
Poteryaev, A. I.
Pchelkina, Z. V.
Streltsov, S. V.
Long, Y.
Irkhin, V. Yu.
Strongly Correlated Electrons
Recently synthesized quadruple perovskite CuCu$_3$Fe$_2$Re$_2$O$_{12}$ possesses strong ferromagnetism and unusual electron properties, including enhanced electronic specific heat. Application of the first principles electronic structure approaches unambiguously shows importance of the many-body effects in this compound. While CuCu$_3$Fe$_2$Re$_2$O$_{12}$ is half-metallic ferrimagnet in the DFT+U method, in the density functional theory (DFT) combined with the dynamical mean-field theory (DMFT) it appears to be a metal. Strong correlations lead to a renormalization of electronic spectrum and formation of incoherent states close to the Fermi level. Electronic specific heat and magnetic properties obtained in the DFT+DMFT approach are in better agreement with available experimental data than derived by other band structure techniques.
title Highly correlated electronic state in a ferrimagnetic quadruple perovskite CuCu$_3$Fe$_2$Re$_2$O$_{12}$
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2502.17153