Atomic arrangement in B2FeAl prepared by self-propagated high-temperature synthesis at varying al content and annealing

Atomic arrangement in B2 FeAl prepared by self-propagated high temperature synthesis (SHS) as a function of Al concentration and annealing temperature has been studied by Fe-57 Mossbauer spectroscopy (MS) and X-ray diffraction (XRD). The increase of B2 FeAl isomer shift (IS) and lattice parameter (a) with Al concentration in the whole concentration range has been detected. This may originate from the formation of Al antisite atoms. Calculation of s-clectron populations against number of Al antisites using a cluster approach and MO LCAO method supported this assumption. Annealing resulted in atomic rearrangements both in near-stoichiometric and Al-rich B2 FeAl.