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

Bernard Fongang, Yvan Labaye, Florent Calvayrac, Serge Zekeng, Jean Marc Grenèche

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish (US)
Pages (from-to)3646-3651
Number of pages6
JournalJournal of Magnetism and Magnetic Materials
Volume324
Issue number22
DOIs
StatePublished - Nov 2012
Externally publishedYes

Keywords

  • Grain boundary
  • Heisenberg
  • Iron fluoride
  • Magnetic frustration
  • Magnetic nanostructure
  • Metropolis

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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