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The diffusion pathways of Pb adatoms and ad-dimers on Si(100) are investigated by first-principles calculations. Pb adatoms are found to diffuse on top of the Si(100) dimer row with an energy barrier of 0.31eV. However, Pb dimers are energetically more stable. Pb dimers on top of the dimer row have a high energy barrier (0.95eV) to rotate from the lowest energy configuration to the orientation parallel...
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