It was shown, within the framework of ab initio statistical mechanics, that triple defect formation was not the dominant thermal excitation in stoichiometric B2 FeAl; at least not at low temperatures. Therefore the usual form of analysis of magnetic susceptibility measurements, exclusively in terms of triple defects, could yield erroneous results for the concentrations of Fe vacancies.

Dominant Thermal Defects in B2-FeAl. G.Bester, B.Meyer, M.Fähnle, C.L.Fu: Materials Science and Engineering A, 2002, 323[1-2], 487-90