Magnetoelastic coupling in ?-iron investigated within an ab initio spin spiral approach

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Autor/in:
Erscheinungsjahr:
2011
Medientyp:
Text
Schlagworte:
  • Spin waves
  • Magnons
  • Magnetic moments
  • Magnetic Anisotropy
  • Magnetization
  • Magnetism
  • Spin waves
  • Magnons
  • Magnetic moments
  • Magnetic Anisotropy
  • Magnetization
  • Magnetism
Beschreibung:
  • Exchange interactions in alpha- and gamma-Fe are investigated within an ab initio spin spiral approach. We have performed total-energy calculations for different magnetic structures as a function of lattice distortions, related to various cell volumes and the Bain tetragonal deformations. The effective exchange parameters in gamma-Fe are very sensitive to the lattice distortions, leading to the ferromagnetic ground state for the tetragonal deformation or increase of the volume cell. At the same time, themagnetic-structure-independent part of the total energy changes very slowly with the tetragonal deformations. The computational results demonstrate a strong mutual dependence of crystal and magnetic structures in Fe and explain the observable ``anti-Invar{''} behavior of thermal-expansion coefficient in gamma-Fe.
Lizenz:
  • info:eu-repo/semantics/restrictedAccess
Quellsystem:
Forschungsinformationssystem der UHH

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oai:www.edit.fis.uni-hamburg.de:publications/d82d72ca-bdab-4976-a64f-58a27ec4c0a1