A PRELIMINARY STUDY ON THE RELAXATION OF Si(111) SURFACE ATOMS
Si(111)表面原子弛豫研究

In this paper the Extended Hucker Method is adopted and the Cluster model is used to calculated the surface relaxation of the Si (111) plane. The calculation shows that the surface atoms will be displaced inward with respect to their "ideal" positions by an amount of 0.10?. This expectation is in better agreement with the experimental results than previous empirical evaluations and theoretical calculations.