Theoretical study of the magnetic properties of the CoCu2O3 compound
Résumé
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.
Domaines
Physique [physics]
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