Abstract

The authors report the calculations of magnetic Compton profiles in ferromagnetic iron. Self-consistent and parametrised band-structure calculations were performed using the linear muffin-tin orbital method. These calculations are consistent with other calculations and show a good agreement with the experimental data. Moreover the parametrised curves describe the measured magnetic Compton profiles in the low-momentum region more precisely than the self-consistent calculations. These results confirm the analysis of positron annihilation data made by Genoud and co-workers (1988), which require the use of a parametrised band-structure calculation. The main differences between both band structures concern the point N of the Brillouin zone: the large N-centred hole pocket of the minority third band given by the self-consistent calculation almost vanishes in the parametrised calculation. This trend is also supported by de Haas van Alphen measurements.

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