Coupled structural and magnetic properties of ferric fluoride nanostructures: Part II, a Monte Carlo-Heisenberg study

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

卷:324

Article

Fongang, Bernard^1,2  Labaye, Yvan¹  Calvayrac, Florent¹  Zekeng, Serge²  Greneche, Jean-Marc¹ 

[1] Univ Maine, CNRS, Inst Mol & Mat Mans, Dept PEC,UMR 6283,LUNAM, F-72085 Le Mans 9, France

[2] Univ Yaounde I, Dept Phys, Mat Sci Lab, Yaounde, Cameroon

关键词: Magnetic nanostructure;    Iron fluoride;    Grain boundary;    Metropolis;    Magnetic frustration;    Heisenberg;   

DOI  :  10.1016/j.jmmm.2012.04.040

来源: Elsevier

【 摘 要 】

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. (c) 2012 Elsevier B.V. All rights reserved.

【 授权许可】

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