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- W2009773660 abstract "The (1 × 1) and (√3 × √3)R30° (T4) structures of As adatoms on the Ge(111) and Si(111) surfaces are studied using first-principles calculations. Comparing the adsorption energies per As atom, we find that on the Si(111) surface, the T4 configuration is favored against the (1 × 1) structure by 0.5 eV per As adatom. The same preference is found on the Ge(111) surface, but only by 0.1 eV As adatoms. The (√3 × √3)R30° structure (13 ML coverage) is nevertheless unstable, and the energetics favor its transformation into domains with 1 ML coverage, and areas of a clean, reconstructed surface. The relaxed adatom structures and the redistribution of the electronic charge densities are also presented and discussed." @default.
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- W2009773660 title "Arsenic adatom structures for Ge(111) and Si(111) surfaces: first-principles calculations" @default.
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- W2009773660 doi "https://doi.org/10.1016/0039-6028(96)00722-4" @default.
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