J. Deniszczyk et Je. Frackowiak, THEORETICAL AND MOSSBAUER-EFFECT STUDY OF MAGNETIC AND ELECTRONIC-PROPERTIES OF FE3AL COMPOUND, Acta Physica Polonica. A, 91(2), 1997, pp. 455-458
The electronic properties of Fe3Al were determined experimentally, wit
h the use of the Mossbauer spectroscopy, and theoretically. The band s
tructure of the compounds was investigated applying the self-consisten
t tight-binding linear muffin tin orbital method. The calculated Fermi
contact term of hyperfine fields and the isomer shifts are in good ag
reement with the values resulting from analysis of experimental data.
The different kinds of election transfer estimated on the base of the
proposed ''additive model'' are also strongly supported by calculation
s.