Calculation of hyperfine fields in binary Y-Fe compounds and in Y2Fe14B

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 resul...

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Veröffentlicht in:Journal of applied physics 1991-04, Vol.69 (8), p.6222-6224
Hauptverfasser: COEHOORN, R, DENISSEN, C. J. M, EPPENGA, R
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container_title Journal of applied physics
container_volume 69
creator COEHOORN, R
DENISSEN, C. J. M
EPPENGA, R
description 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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subjects Applied sciences
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Exact sciences and technology
Magnetic properties and materials
Metals. Metallurgy
Physics
Studies of specific magnetic materials
title Calculation of hyperfine fields in binary Y-Fe compounds and in Y2Fe14B
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