Showing papers by "Hong Liu published in 1985"
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3 citations
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01 Jan 1985TL;DR: In this paper, a structure analysis of the Si(lll)2 × 1surface is performed using extensive new LEED data (12 beams), and a modified Keating-type strain energy analysis is used to expedite search in multiparameter structural space.
Abstract: A structure analysis of the Si(lll)2 × 1surface is performed using extensive new LEED data (12 beams). A modified Keating-type strain energy analysis is used to expedite search in multiparameter structural space. Although the ir-bonded chain model in its original form grossly disagrees with LEED, a modification of that structure gives a more reasonable agreement. We show variation of the R factor with various important structural parameters. Our optimization so far has given us a minimum R factor of 0.42. This is not a particularly satisfying value by LEED standards, but the agreement is significantly better than for all chain models proposed to date. The major modification with respect to the earlier models is a strong intrachain buckling in the top chain. Our optimized coordinates down to six layers are given which may be useful for future electronic structure calculations.
1 citations