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• W2074052935 startingPage "9234" @default.
• W2074052935 abstract "Molecular-dynamics (MD) simulations have been performed to determine the surface atomic configurations and surface energies for seven typical surfaces of ensuremath{beta}-SiC: (100), (110), and (111) starting from the bulk lattice configuration at the surface. No surface reconstruction is observed for the ensuremath{beta}-SiC(110) and (111) surfaces. A buckled structure on the nonpolar (110) surface is obtained with the relaxation perpendicular to the surface. The results for the Si- and C-terminated ensuremath{beta}-SiC(111) surface show that both the surface Si and C atoms relax inward. On the other hand, both the surface relaxation and a $(2ifmmodetimeselsetexttimesfi{}1)$ reconstruction are obtained on the (100) surface. A detailed comparison with available experiments and other calculations is presented." @default.
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• W2074052935 date "1998-04-15" @default.
• W2074052935 modified "2023-10-18" @default.
• W2074052935 title "Systematic study of β-SiC surface structures by molecular-dynamics simulations" @default.
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• W2074052935 doi "https://doi.org/10.1103/physrevb.57.9234" @default.
• W2074052935 hasPublicationYear "1998" @default.
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