IFLYSIB   05383
INSTITUTO DE FISICA DE LIQUIDOS Y SISTEMAS BIOLOGICOS
Unidad Ejecutora - UE
artículos
Título:
On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: A combined ab-initio and Monte-Carlo approach
Autor/es:
MELO QUINTERO, J.; ROSALES, H.D.; ERRICO, L.A.; GÓMEZ ALBARRACÍN, F.A.; STEWART, S.J.; SALCEDO RODRÍGUEZ, K.L.; MENDOZA ZÉLIS, P.; RODRÍGUEZ TORRES, C.
Revista:
Heliyon
Editorial:
Elsevier
Referencias:
Lugar: London; Año: 2019 vol. 5
ISSN:
2405-8440
Resumen:
We present a numerical study of the magnetic properties of ZnFe2O4 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 ( 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 ZnFe2O4 below its ordering temperature, where the system presents a high degeneracy.