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arXiv · 2512.06842

Exchange interaction in ACu3Fe2Re2O12 quadruple perovskites

Fedor Temnikov·Alexey V. Ushakov·Evgenia V. Komleva·Zhehong Liu·Youwen Long·Valentin Yu. Irkhin·Sergey V. Streltsov
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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.

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Fedor Temnikov, Alexey V. Ushakov, Evgenia V. Komleva, Zhehong Liu, Youwen Long, Valentin Yu. Irkhin, Sergey V. Streltsov. 2025-12-07. Exchange interaction in ACu3Fe2Re2O12 quadruple perovskites. https://doi.org/10.1103/k83j-n4h4

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