Theoretical and Mossbauer effect study of magnetic and elektonic properties of Fe3AL compound

Abstract

The electronic properties of Fe3Al were determined experimentally, with the use of the Mössbauer spectroscopy, and theoretically. The band structure of the compounds was investigated applying the self-consistent tight-binding linear muffin tin orbital method. The calculated Fermi contact term of hyperfine fields and the isomer shifts are in good agreement with the values resulting from analysis of experimental data. The different kinds of electron transfer estimated on the base of the proposed "additive model" are also strongly supported by calculations.