Coupled structural and magnetic properties of ferric fluoride nanostructures part I: a Metropolis atomistic study

A modified Metropolis atomistic simulation is proposed to model the structure of grain boundaries (GBs) and interfaces in ionic nanostructured systems and is applied to the magnetically interesting case of iron trifluoride (FeF3). We chose long-range interatomic potentials adjusted on experimental r...

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Veröffentlicht in:	arXiv.org 2010-03
Hauptverfasser:	Fongang, B, Labaye, I, Zekeng, S, Calvayrac, F, Greneche, J M
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Boundary conditions Computer simulation Disorientation Grain boundaries Magnetic properties Magnetic structure Metal fluorides Physics - Materials Science Physics - Mesoscale and Nanoscale Physics Simulated annealing Topology
Online-Zugang:	Volltext
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