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arXiv · 2502.17153

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

A. I. Poteryaev·Z. V. Pchelkina·S. V. Streltsov·Y. Long·V. Yu. Irkhin
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Abstract

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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A. I. Poteryaev, Z. V. Pchelkina, S. V. Streltsov, Y. Long, V. Yu. Irkhin. 2025-02-24. Highly correlated electronic state in a ferrimagnetic quadruple perovskite CuCu$_3$Fe$_2$Re$_2$O$_{12}$. https://doi.org/10.1134/s002136402460441x

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