Coupled structural and magnetic properties of ferric fluoride nanostructures: Part II,a Monte Carlo–Heisenberg study |
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Authors: | Bernard Fongang Yvan Labaye Florent Calvayrac Serge Zekeng Jean-Marc Grenèche |
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Institution: | 1. Département PEC, Institut des Molécules et Matériaux du Mans, UMR CNRS 6283, LUNAM Université du Maine, 72085 Le Mans, Cedex 9, France;2. Laboratoire de Sciences des Matériaux, Département de Physique, Université de Yaoundé i, BP 812 Yaoundé, Cameroun |
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Abstract: | We present a numerical study of the magnetic structure of nanostructured iron fluoride, using the Monte Carlo Metropolis simulated annealing technique and a classical Heisenberg Hamiltonian with superexchange angle dependent interactions. The parameters are adjusted on experimental results, and the atomic structure and topology taken from a previous atomistic model of grain boundaries in the same system. We find perfect antiferromagnetic crystalline grains and a disordered magnetic configuration (speromagnetic) at the grain boundary, in agreement with experimental features. Both the lowest magnetic energy and the rate of magnetic frustration are found to be dependent on the relative disorientation of crystalline grains, i.e. on the cationic topology. We conclude on possible extensions of the model. |
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Keywords: | Magnetic nanostructure Iron fluoride Grain boundary Metropolis Magnetic frustration Heisenberg |
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