Hyperfine Interactions

, Volume 78, Issue 1–4, pp 383–389 | Cite as

Calculated hyperfine fields of light interstitials in Fe

  • M. Takeda
  • H. Akai
  • J. Kanamori
Section III.2: Magnetism and Theory

Abstract

Super-cell band structure calculations with the Korringa-Kohn-Rostoker method in the framework of the local-spin-density approximation are performed on ferromagnetic iron with typical elements (B, C andN) at the octahedral interstitial sites for the purpose of studying hyperfine fields of light interstitials. Lattice relaxations around the interstitial atoms are allowed in these calculations. Calculated hyperfine fields of these interstitial impurities are in better agreement with experimental values than the results obtained previously for unrelaxed lattices, showing that the inclusion of the lattice relaxation is crucial in these systems.

Keywords

Iron Thin Film Band Structure Structure Calculation Typical Element 

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Copyright information

© J.C. Baltzer AG, Science Publishers 1993

Authors and Affiliations

  • M. Takeda
    • 1
  • H. Akai
    • 2
  • J. Kanamori
    • 3
  1. 1.Department of Physics, Faculty of ScienceOsaka UniversityToyonaka, OsakaJapan
  2. 2.Department of PhysicsNara Medical UniversityKasihara, NaraJapan
  3. 3.Osaka UniversitySuita, OsakaJapan

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