Exchange interaction in ACu3Fe2Re2O12 quadruple perovskites
Abstract
Quadruple perovskites ACu3Fe2Re2O12 attract considerable interest due to their high Curie temperatures (up to 710K), 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 t2g 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.
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