Temperature wave analysis method samples

More reliable calculations of the energetic ranking of the various structural competitors on Si(OOl) have been performed using traditional first-principles methods. In particular, a careful zero-temperature analysis has been performed with attention to the errors involved as a result of choice of both -point sampling and plane wave cutoffs (Ramstad et al. 1995). This work attempts to discriminate between the energetics of the ideal unreconstructed surface and two different (2x1) competitors and the (4 x 2) reconstruction. 

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