The electronic structures of (110) and (121) antiphase boundaries, and the effect of Cr upon them, were calculated by using the recursion method. The density of states, the interaction energy between atoms, and the energy of the antiphase boundaries were deduced. The energy of the antiphase boundaries was sensitive to the local environment of Fe and Al atoms on the boundary. The (121) antiphase boundary had a higher energy than the (110) antiphase boundary. The separation between 2 partials bounded by antiphase boundaries suggested that the primary deformation mode of FeAl would involve <111> slip. The addition of Cr decreased the energy of the antiphase boundary, but the effect was small.

Cr Impurity Effect on Antiphase Boundary in FeAl Alloy. S.Liu, J.A.Leiro: Japanese Journal of Applied Physics - 1, 1999, 38[5A], 2806-11