Lattice distortions near impurity atoms in α-Fe1−x Six alloys

Lattice distortions near impurity atoms in α-Fe1−x Six alloys (x≈0.05–0.06) are studied both experimentally using x-ray diffraction and theoretically by means of ab initio calculations. It is found that the distortions are more complex than experimental data suggest. The displacements of atoms near impurities are not determined by the concentration dependence of the average lattice constant nor by a difference in the ion radii.