Abstract
We study the surface segregation in semi-infinite non magnetic iron for dilute impurities within the same row of the periodic table as the host. We compute accurately the band contribution to the segregation energy within a tight-binding degenerated band model. The surface barrier, as well as the impurity potential, are considered as parameters adjusted with the aid of the Friedel sum rule. We discuss also the influence of a small charge transfersp-d on the segregation energies.
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Dreyssé, H., Riedinger, R. Substitutional dilute impurities in semi-infinite paramagnetic iron. Z. Physik B - Condensed Matter 66, 185–189 (1987). https://doi.org/10.1007/BF01311654
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DOI: https://doi.org/10.1007/BF01311654