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The adsorption of Sr on the Si(001) surface with the semiantiphase dimer (2×2) reconstruction is studied, based upon the ab initio pseudopotential calculations. It is calculated that the semiantiphase dimer (2×2) reconstruction (2 dimers per unit cell) is more favorable than the (2×1) phase (1 dimer per unit cell) by an energy of about 0.24eV/dimer. Considering the energetically more stable reconstruction,...
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