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• W1973569235 abstract "Silicon carbide often grows in the cubic phase under conditions where this is not the most stable phase. Ab initio calculations are presented which determine the energy of a stacking reversal at the (0001) and surfaces of silicon carbide, and thus whether the cubic form is preferred in the vicinity of a free surface. In these calculations the surfaces are not reconstructed but hydrogen terminated, and care is taken to eliminate the spurious dipole - dipole interaction caused by the imposition of periodic boundary conditions, and also in estimating the amount of residual ionic relaxation. These calculations do show a clear distinction of 13 meV per surface pair between the silicon and carbon surfaces, although the results are not in complete agreement with experiment." @default.
• W1973569235 created "2016-06-24" @default.
• W1973569235 creator A5069205162 @default.
• W1973569235 creator A5074473684 @default.
• W1973569235 date "1997-09-29" @default.
• W1973569235 modified "2023-09-27" @default.
• W1973569235 title "Energetics of stacking boundaries on the {0001} surfaces of silicon carbide" @default.
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• W1973569235 doi "https://doi.org/10.1088/0953-8984/9/39/007" @default.
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