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- W1992971383 abstract "The role of variable hybridization in the description of covalent solids is discussed. As an example the criterion of “maximum overlap-straight bond” is applied to investigate changes in plane-to-plane spacings induced normal to a free (111) surface in diamond-like crystals. The simple model used appears to have general validity and suggests that formation of a free surface always determines a “localized” pattern of perturbed lattice distances in the direction perpendicular to the surface. Numerical results are in agreement with previous cluster computations and indicate a heavily damped oscillation of interatomic distances around a mean value when proceeding inwards from the free (111) surface of diamond and silicon. The results support the so-called H-model for the (111) surfaces of diamond-like crystals, and exclude the possibility of graphite-like delocalization." @default.
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- W1992971383 date "1983-01-01" @default.
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- W1992971383 title "Hybridization and surface relaxation in diamond-like crystals" @default.
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- W1992971383 doi "https://doi.org/10.1016/0022-2860(83)90274-0" @default.
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