Calculation of hyperfine fields in binary Y-Fe compounds and in Y 2Fe14B

R. Coehoorn; C.J.M. Denissen; R. Eppenga

doi:10.1063/1.348815

Calculation of hyperfine fields in binary Y-Fe compounds and in Y ₂Fe₁₄B

R. Coehoorn, C.J.M. Denissen, R. Eppenga

Research output: Contribution to journal › Article › Academic › peer-review

34 Citations (Scopus)

Abstract

The Fermi contact contribution to the hyperfine fields on Fe nuclei in Y₂Fe₁₇, Y₆Fe₂₃, YFe₃, YFe₂, and Y₂Fe₁₄B has been calculated by means of first principles self-consistent band structure calculations. The calculated and experimental hyperfine fields are strongly correlated, but, similar to results reported earlier for elemental Fe, the absolute values of all calculated hyperfine fields are systematically too small. The 4s electron contribution to the hyperfine fields is shown to result in significant deviations from a simple proportionality relation between the hyperfine fields and the local Fe moments.

Original language	English
Pages (from-to)	6222-6224
Number of pages	3
Journal	Journal of Applied Physics
Volume	69
Issue number	8
DOIs	https://doi.org/10.1063/1.348815
Publication status	Published - 1 Dec 1991
Externally published	Yes

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abstract = "The Fermi contact contribution to the hyperfine fields on Fe nuclei in Y2Fe17, Y6Fe23, YFe3, YFe2, and Y2Fe14B has been calculated by means of first principles self-consistent band structure calculations. The calculated and experimental hyperfine fields are strongly correlated, but, similar to results reported earlier for elemental Fe, the absolute values of all calculated hyperfine fields are systematically too small. The 4s electron contribution to the hyperfine fields is shown to result in significant deviations from a simple proportionality relation between the hyperfine fields and the local Fe moments.",

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AU - Eppenga, R.

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AB - The Fermi contact contribution to the hyperfine fields on Fe nuclei in Y2Fe17, Y6Fe23, YFe3, YFe2, and Y2Fe14B has been calculated by means of first principles self-consistent band structure calculations. The calculated and experimental hyperfine fields are strongly correlated, but, similar to results reported earlier for elemental Fe, the absolute values of all calculated hyperfine fields are systematically too small. The 4s electron contribution to the hyperfine fields is shown to result in significant deviations from a simple proportionality relation between the hyperfine fields and the local Fe moments.

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Calculation of hyperfine fields in binary Y-Fe compounds and in Y ₂Fe₁₄B

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