Highly Correlated Electronic State in the Ferrimagnetic Quadruple Perovskite CuCu3Fe2Re2O12

Recently synthesized quadruple perovskite CuCu3Fe2Re2O12 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 CuCu3Fe2Re2O12 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 electronic correlations leads 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.