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- W1982057384 abstract "We report on ab initio pseudopotential calculations for geometric structure of Ge, Si, and mixed Si-Ge dimers on the $mathrm{Si}(001)ensuremath{-}(1ifmmodetimeselsetexttimesfi{}2),$ $mathrm{Si}(001)ensuremath{-}(2ifmmodetimeselsetexttimesfi{}2),$ $mathrm{Ge}(001)ensuremath{-}(1ifmmodetimeselsetexttimesfi{}2),$ and $mathrm{Ge}(001)ensuremath{-}(2ifmmodetimeselsetexttimesfi{}2)$ surfaces. Our studies show that there is a clear energy gain in going from the $(1ifmmodetimeselsetexttimesfi{}2)$ reconstruction to a semiantiphase $(2ifmmodetimeselsetexttimesfi{}2)$ reconstruction for all of these systems. However, for the above reconstruction change, significant elongation is found to take place for the pure Ge-Ge and mixed Si-Ge dimers, but not for the pure Si-Si dimers despite similar beneficial change in substrate relaxation." @default.
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- W1982057384 date "1999-07-15" @default.
- W1982057384 modified "2023-09-25" @default.
- W1982057384 title "Dimer length variation for different reconstructions of Si, Ge, and mixed Si-Ge dimers on Si(001) and Ge(001) substrates" @default.
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- W1982057384 doi "https://doi.org/10.1103/physrevb.60.1488" @default.
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