On the deviation from a Curie–Weiss behavior of the ZnFe(2)O(4) susceptibility: A combined ab-initio and Monte-Carlo approach

We present a numerical study of the magnetic properties of ZnFe(2)O(4) using Monte-Carlo simulations performed considering a Heisenberg model with antiferromagnetic couplings determined by Density Functional Theory. Our calculations predict that the magnetic susceptibility has a cusp-like peak cente...

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Detalles Bibliográficos
Autores principales: Melo Quintero, J., Salcedo Rodríguez, K.L., Gómez Albarracín, F.A., Rosales, H.D., Mendoza Zélis, P., Stewart, S.J., Errico, L.A., Rodríguez Torres, C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6354655/
https://www.ncbi.nlm.nih.gov/pubmed/30775570
http://dx.doi.org/10.1016/j.heliyon.2019.e01170
Descripción
Sumario:We present a numerical study of the magnetic properties of ZnFe(2)O(4) using Monte-Carlo simulations performed considering a Heisenberg model with antiferromagnetic couplings determined by Density Functional Theory. Our calculations predict that the magnetic susceptibility has a cusp-like peak centered at 13 K, and follows a Curie–Weiss behavior above this temperature with a high and negative Curie–Weiss temperature ([Formula: see text] K). These results agree with the experimental data once extrinsic contributions that give rise to the deviation from a Curie–Weiss law are discounted. Additionally, we discuss the spin configuration of ZnFe(2)O(4) below its ordering temperature, where the system presents a high degeneracy.

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