Electronic Structure of Fe3Si‐Type Alloys I. X‐Ray Spectra of Mn3Si, Fe3Si, and Fe3Al and Comparison with Band Structure Calculations

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Abstract
Al‐ and Si Kβx emission spectra as well as Mn‐ and Fe L2,3 emission and self‐absorption spectra of the alloys are measured using a primary Bragg‐Soller spectrometer. Within error limits, the energetical positions of features in the spectra agree with those from calculated band structures. It follows that the APW method is applicable also to magnetic alloys if the band model of ferromagnetism is used. In non‐SCF calculations the transition metal configuration 3dn‐14s1 gives better results than 3dn‐24s2, as it is concluded from the relative position of s‐ and d‐bands.