Exchange interaction in ACu3Fe2Re2O12 quadruple perovskites

Abstract

Quadruple perovskites ACu${}_3$Fe${}_2$Re${}_2$O${}_{12}$ attract considerable interest due to their high Curie temperatures (up to $710$K), which strongly depend on the A-site cation. In this work, we employ first-principles calculations to investigate their electronic structure and magnetic exchange interactions. A band mechanism of magnetism that explains the antiferromagnetic character of the exchange interactions and their strong dependence on the filling of the Re $t_{2g}$ states is proposed. These antiferromagnetic interactions stabilize ferrimagnetic ground state. The calculated Curie temperatures, obtained within the Onsager reaction field theory, are in a good agreement with experimental data.

8 pages, 7 figures

References in corpus (4)

• Calculation of the exchange constants of the Heisenberg model in the plane-wave based methods using the Green's function approach
• Thermodynamics of itinerant magnets in a classical spin fluctuation model
• Rattling Phonon Modes in Quadruple Perovskites
• Highly correlated electronic state in a ferrimagnetic quadruple perovskite CuCu${}_3$Fe${}_2$Re${}_2$O${}_{12}$