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- W2000914538 abstract "We investigate the initial process of adsorption of Sb–dimer on Si(001)–1×2 and Ge(001)–1×2 surfaces, considering a number of possible geometric configurations. Furthermore, we determinate the energy barrier relatively to the 2×1↔1×1 phase transition of the Si(001)/Sb and Ge(001)/Sb surfaces. The calculations were performed within the local density approximation (LDA), using a norm conserving and ab initio fully separable pseudopotentials. Our results indicate that the adsorption of Sb–dimer, perpendicular and over the substrate Si(Ge)–dimers row, is the energetically more favourable configuration. In this adsorption process the substrate Si(Ge)–dimer bond is conserved, reducing the number of the surface dangling bonds. The dissociation process of the adsorbed Sb–dimer, corresponding to the 2×1↔1×1 phase transition, presents an energy barrier equal to 0.39 eV/dimer and 0.53 eV/dimer, on Si and Ge surfaces, respectively." @default.
- W2000914538 created "2016-06-24" @default.
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- W2000914538 date "1999-04-01" @default.
- W2000914538 modified "2023-09-27" @default.
- W2000914538 title "Adsorption process and 2×1↔1×1 phase transition of Sb–dimer on Si(001) and Ge(001) surfaces" @default.
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- W2000914538 doi "https://doi.org/10.1016/s0169-4332(98)00662-x" @default.
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