Abstract
The influence of the impurity substituted on the regular site in the BCC α-Fe on charge and spin density on the adjacent iron nuclei has been studied by the ab initio method within framework of the full-potential linearized augmented plane-wave (FLAPW) formalism applying density functional theorem (DFT). Results were correlated with the phenomenological cellular atomic model of Miedema and van der Woude and with the Mossbauer spectroscopy experimental data.
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