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Atomic and electronic structure of Sr/Si(0 0 1)-(2 × 2)
The adsorption of Sr on the Si(0 0 1) 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) ... -
Cs adsorption on Si(001) surface: An ab initio study
First-principles calculations using density functional theory based on norm-conserving pseudopotentials have been performed to investigate the Cs adsorption on the Si(001) surface for 0.5 and 1 ML coverages. We found that ...