Abstract
The potential of the extended local atomic displacement approximation (ELADA) is investigated in application to the description of the mechanism of the effect of the diverse atomic position occupancy (DAPO effect), which manifests itself in the “absorption and precipitation” of α-Fe in Fe23B6 without a change in the temperature of the magnetic transformation TC of the phase in the process of compacting of powders and subsequent annealing of the compacts at T ≥ 325 K, respectively. It is shown that the nature of the observed effect is determined by the localization of Fe(4a) atoms in the crystallographic positions Fe(4b) of the fcc unit cell of the metastable Fe23B6 phase (diverse atomic position occupancy (DAPO)).
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