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- W2011788081 abstract "We have performed ab initio pseudopotential calculations for the diamond (111) surface with nitrogen or boron replacing the surface carbon atoms. Surface boron atoms form planar ${mathrm{sp}}^{2}$ bonds with carbon atoms and the compressive stress from the underlying bulk diamond lattice squeezes the B-C bonds significantly. Bulk and shear moduli in the surface region increase substantially, surpassing those of bulk diamond. In contrast, for the nitrogen-covered surface, N-C bonds are elongated because of the tensile stress from bulk diamond and the elastic stiffness decreases." @default.
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- W2011788081 date "1998-02-02" @default.
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- W2011788081 title "Enhancement of Surface Hardness: Boron on Diamond (111)" @default.
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- W2011788081 doi "https://doi.org/10.1103/physrevlett.80.995" @default.
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