Abstract.
The formation of structures of Be and Mg on the furrowed Mo(112) surface has been studied by DFT. Both Be and Mg adsorb in furrows. The adsorption of small Be adatoms results in the smoothing of the surface and therefore increases the work function. The dominant lateral interaction for Be on Mo(112) is the attraction between nearest-neighbor Be adatoms, which, at low coverages, leads to the formation of islands of the p(1 × 1) structure. In contrast, larger Mg adatoms are polarized, so that the work function decreases. Friedel oscillations of screening electrons, enhanced due to existence of flat segments of Fermi surface, provide a favorable decay asymptotic of the indirect interaction along the furrows, which explains the formation of the p(4 × 1) chain structure in Mg layers on Mo(112).
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Yakovkin, I. Lateral interaction in Be and Mg layers on the Mo(112) surface. Eur. Phys. J. B 85, 369 (2012). https://doi.org/10.1140/epjb/e2012-30750-5
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DOI: https://doi.org/10.1140/epjb/e2012-30750-5