Origin of the magnetic properties of MnFe2O4 spinel ferrite: Ab initio and Monte Carlo simulation

•The electronic structure of MnFe2O4 were carried out using ab initio calculations.•Magnetic properties of MnFe2O4 were carried out using Monte Carlo simulation. In this work, the electronic and magnetic properties of bulk spinel ferrite MnFe2O4 were carried out using ab initio calculations and Mont...

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Bibliographic Details
Published in:Journal of magnetism and magnetic materials 2021-09, Vol.533, p.168016, Article 168016
Main Authors: Mounkachi, O., Lamouri, R., Salmani, E., Hamedoun, M., Benyoussef, A., Ez-Zahraouy, H.
Format: Article
Language:English
Subjects:
Couplings
Density functional theory
Electronic structure
Ferrites
Ising model
Magnetic anisotropy
Magnetic properties
Magnetic properties, spinel ferrite, MnFe2O4
Magnetic transitions
Magnetism
MnFe2O4
Monte Carlo simulation
Spinel
Temperature effects
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Summary:•The electronic structure of MnFe2O4 were carried out using ab initio calculations.•Magnetic properties of MnFe2O4 were carried out using Monte Carlo simulation. In this work, the electronic and magnetic properties of bulk spinel ferrite MnFe2O4 were carried out using ab initio calculations and Monte Carlo simulation. The electronic properties as well as, the exchange coupling interactions and the magnetic anisotropy were calculated using Density functional theory. The obtained exchange couplings between nearest n eighbours (JAB = −21.8 K, JBB = 13.7 K and JAA = 8.6 K) and the magnetic anisotropy were used as input parameters in a classical Ising model to study the finite-temperature effects on the magnetic properties of bulk MnFe2O4 with different size. It is shown that MnFe2O4 has a magnetic transition around 559.26 K.
ISSN:0304-8853
1873-4766
DOI:10.1016/j.jmmm.2021.168016