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Journal Articles Physical Review B Year : 2022

Theoretical study of the magnetic properties of the CoCu2O3 compound

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Abstract

In this work we present a theoretical study of the magnetic properties of the CoCu2O3 compound. The magnetic effective exchange interactions and zeroth-field splitting were computed using ab-initio methods, then the magnetic order and transition temperature were determined using classical Monte-Carlo simulations. We showed that, unlike other members of the ACu2O3 family, the presence of an additional magnetic atom, associated with a large folding of the puckered layers in the (a, b) directions, induces a magnetic pattern based on coupled 3-leg ladders, quite different from the 2-leg structural ladders. The propagation vector has been found to be q = (0, 1 2 , 1 2). It is associated to a doubly-degenerated ground state suggesting a doubling of the unit cell. The large Co 2+-ion anisotropy was shown to be of crucial importance in the high transition temperature observed in this compound.
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Dates and versions

hal-03886357 , version 1 (06-12-2022)

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Julien Lévêque, Elisa Rebolini, Marie-Bernadette Lepetit, Andrés Saúl. Theoretical study of the magnetic properties of the CoCu2O3 compound. Physical Review B, 2022, 106 (22), pp.224402. ⟨10.1103/PhysRevB.106.224402⟩. ⟨hal-03886357⟩
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