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

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...

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Bibliographic Details
Authors: Melo Quintero, Jhon Jaither, Salcedo Rodriguez, Karen Lizeth, Gómez Albarracín, Flavia Alejandra, Rosales, Héctor Diego, Mendoza Zélis, Pedro, Stewart, Silvana Jacqueline, Errico, Leonardo Antonio, RodrÍguez Torres, Claudia Elena
Format: article
Status:Published version
Publication Date:2019
Country:Argentina
Institution:Consejo Nacional de Investigaciones Científicas y Técnicas
Repository:CONICET Digital (CONICET)
Language:English
OAI Identifier:oai:ri.conicet.gov.ar:11336/126020
Online Access:http://hdl.handle.net/11336/126020
Access Level:Open access
Keyword:MONTE CARLO
ZINC FERRITE
AB INITIO
MAGNETIC FRUSTRATION
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
Description
Summary: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 (ΘCW=−170 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.

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