On the deviation from a Curie–Weiss behavior of the ZnFe2O4 susceptibility: A combined ab-initio and Monte-Carlo approach

• DOI: 10.1016/j.heliyon.2019.e01170
• Publication Date: 2019-01-28T14:01:05Z
• Authors: J. Melo Quintero; K.L. Salcedo Rodr...; F.A. Gómez Albarr...; H.D. Rosales; P. Mendoza Zélis; S.J. Stewart; L.A. Errico; C. Rodríguez Torres
• Keywords: Curie; Degeneracy (biology); Curie constant

We present a numerical study of the magnetic properties ZnFe2O4 using Monte-Carlo simulations performed considering Heisenberg model with antiferromagnetic couplings determined by Density Functional Theory. Our calculations predict that susceptibility has cusp-like peak centered at 13 K, and follows Curie-Weiss behavior above this temperature high negative ( ΘCW=-170 K). These results agree experimental data once extrinsic contributions give rise to deviation from law are discounted. Additionally, we discuss spin configuration below its ordering temperature, where system presents degeneracy.