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Hyperfine Interactions

, Volume 158, Issue 1–4, pp 19–23 | Cite as

Magnetic Properties and the Electric Field Gradients of Fe4N and Fe4C

  • M. Ogura
  • H. Akai
Theory Hyperfine Interactions

Abstract

The magnetic properties and the hyperfine interactions of Fe4N and Fe4C under high pressures are discussed on the basis of first-principles electronic structure calculations performed by the KKR Green's function method and its extention into a full potential scheme (FP-KKR). The results show that both Fe4N and Fe4C undergo a weak first order transition from high to low spin states under pressure. This transition is sensitively reflected not only by H hf but also by EFG. The calculated Curie temperature, magnetic moments and H hf well reproduce the experimental observations.

Key Words

hyperfine field full potential KKR electric field gradient binding surface magnetic state 

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Copyright information

© Springer Science+Business Media, Inc. 2005

Authors and Affiliations

  • M. Ogura
    • 1
    • 2
  • H. Akai
    • 1
  1. 1.Department of Physics, Graduate School of ScienceOsaka UniversityOsakaJapan
  2. 2.Japan Science and Technology AgencySaitamaJapan

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