Exchange interaction in ACu3Fe2Re2O12 quadruple perovskites

2025/12/07 by Temnikov, Fedor, Ushakov, Alexey V., Komleva, Evgenia V. +4
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)

paper · doi:10.48550/arxiv.2512.06842

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 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.

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