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.
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Ogura M., Akai H. and Minamisono T., see the article in this volume (2005).
Ogura M., J. Phys.: Condens. Matter Phys. (2005) to be published.
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Ogura, M., Akai, H. (2005). Magnetic Properties and the Electric Field Gradients of Fe4N and Fe4C. In: Maier, K., Vianden, R. (eds) HFI/NQI 2004. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-30924-1_3
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DOI: https://doi.org/10.1007/3-540-30924-1_3
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-30923-9
Online ISBN: 978-3-540-30924-6
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