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Magnetic hyperfine fields at sp-impurities in cobalt and nickel

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Abstract

The understanding of magnetic hyperfine fields (B hf) at impurity nuclei in magnetic materials has been a central problem in nuclear solid state physics for the last decades. Recent progress in density functional calculations has enabled a virtually quantitative description ofB hf at substitutional impurities in iron with the supercell approach. The present calculations were performed in an equivalent manner for the sp elements Fe-Kr, Ru-Xe, and Os-Rn in the other two simple ferromagnetic matrices, Co and Ni. The used M15X cell in optimized geometry allows for volume expansion and nearest neighbor relaxation. For Co the experimentalB hf data are quite well reproduced, though there are some remaining discrepancies at the end of the series. For Ni the qualitative trends are also accounted for, but the quantitative agreement is not satisfactory. Increasing the supercell size to Ni127X for the 5sp impurities does not lead to much better results.

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Authors and Affiliations

  1. Bereich SF, Hahn-Meitner-Institut Berlin, D-14109, Berlin, Germany

    Heinz Haas

  2. EP Division, CERN, CH-1211, Geneva, Switzerland

    Heinz Haas

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  1. Heinz Haas
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On the occasion of the 80th birthday of Hendrik de Waard

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Haas, H. Magnetic hyperfine fields at sp-impurities in cobalt and nickel. Hyperfine Interact 151, 173–189 (2003). https://doi.org/10.1023/B:HYPE.0000020409.14808.ef

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