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First Principles Determination of Hyperfine Parameters on fcc-Fe8X (X = C, N) Arrangements

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Abstract

In order to investigate some of the fundamental physical properties of the fcc-FeX (X = C, N) austenite solid solutions, we compare the hyperfine parameters obtained by Mössbauer 57Fe spectrometry and those obtained by the full-potential linear augmented-plane wave (FLAPW) method. We have focused the study on isomer shifts and quadrupole splittings at Fe sites obtained by FLAPW assuming an Fe8X structure to sketch the austenite. In the present work, we will discuss this point and compare the results of the calculations with experimental data.

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Authors and Affiliations

  1. Grupo de Estudio de Materiales y Dispositivos Electrónicos (GEMyDE), Facultad de Ingeniería, UNLP, IFLYSIB-CONICET C.C. N°565, 1900, La Plata, Argentina

    E. L. Peltzer y Blancá

  2. Departamento de Física, Facultad de Ciencias Exactas, UNLP, IFLP-CONICET, C.C. N°67, 1900, La Plata, Argentina

    J. Desimoni

  3. Department of Physics and Astronomy, Aarhus University, Ny Munkegade, Bld. 520, DK-8000, Aarhus C, Denmark

    N. E. Christensen

Authors
  1. E. L. Peltzer y Blancá
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  2. J. Desimoni
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  3. N. E. Christensen
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Peltzer y Blancá, E.L., Desimoni, J. & Christensen, N.E. First Principles Determination of Hyperfine Parameters on fcc-Fe8X (X = C, N) Arrangements. Hyperfine Interact 161, 197–202 (2005). https://doi.org/10.1007/s10751-005-9183-3

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