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- W2057905733 abstract "Using the ab initio molecular-dynamics method I have calculated the equilibrium atomic geometry for a monolayer coverage of Sb on InP (110) and GaAs (110) surfaces. For the ``epitaxial continued layer structure'' the absorption of Sb almost completely removes the relaxation of the clean surfaces. For Sb/GaAs the overlayer is characterized by a tilt angle of ${mathrm{ensuremath{omega}}}_{1}$=1.2ifmmode^circelsetextdegreefi{} and a vertical shear of ${mathrm{ensuremath{Delta}}}_{1,mathrm{ensuremath{perp}}}$=0.04 AA{}. For Sb/InP I have calculated ${mathrm{ensuremath{omega}}}_{1}$=4.3ifmmode^circelsetextdegreefi{} and ${mathrm{ensuremath{Delta}}}_{1,mathrm{ensuremath{perp}}}$=0.15 AA{}. The predicted structural parameters are in remarkable agreement with the recent results obtained via low-energy electron diffraction intensity analyses. Our results for Sb/InP are, however, found to be quite different from those obtained from an earlier tight-binding calculation. It is further shown that the Sb-Sb, Sb-cation, and Sb-anion bond lengths are in agreement with the concept of Pauling's bond radii." @default.
- W2057905733 created "2016-06-24" @default.
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- W2057905733 date "1992-09-15" @default.
- W2057905733 modified "2023-10-02" @default.
- W2057905733 title "Atomic geometries of InP(110)-Sb(1 ML) and GaAs(110)-Sb(1 ML)" @default.
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- W2057905733 doi "https://doi.org/10.1103/physrevb.46.7300" @default.
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