Abstract
The bonding nature of the surface atoms in the (2×1) and c(4×2) reconstruction of the Si(100) surface has been characterized using local analysis technique in the context of nonorthogonal tight binding approximation. We demonstrate the capability of this method to yield a real-space picture of the bonding character of the surface atoms for these systems. We also report our analysis of the surface atom bonds on the Si(100) substrate with single-dimer vacancy.
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