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- W2039639984 abstract "Abstract The MNDO semiempirical method has been used to study the structure of the (111) surface of diamond-like crystals employing two model clusters. Numerical results are in agreement with previous computations for the small X4H9 clusters and become very similar to experimental data when employing the larger X9H15 clusters. These latter clusters allow also the study of surface reconstruction. Our results suggest that the Haneman model of 2 × 1 reconstruction could be equally valid for silicon and diamond, but in the latter case the difference in vertical shifts is too small to be experimentally observed." @default.
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- W2039639984 date "1984-03-01" @default.
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- W2039639984 title "Surface relaxation and reconstruction in diamond-like crystals" @default.
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