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Full Potential KKR Calculations for Lattice Distortion Effect of Point Defect in bcc Fe Dilute Alloys, Based on the Generalized Gradient Approximation

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Figure

Figure 2 shows the calculated results for the HF forces on
Fig. 3Lattice distortion energies (lower panel, parabolic behavior), radial forces (lower panel, line) on a 1st-NN host atom, magneticmoments (upper panel, two lines) of impurities I (I = Sc ³ Ge), and those of the 1st-NN host atom, as a function of the ch
Table 1Calculated lattice distortion (in % of interatomic distance),confined only to the 1st-NN host atoms (a), and to the 1st- and 2nd-NNhost atoms (b).
Figure 6 and Table 2 show the calculated results with and
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