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本文用运动学低能电子衍射(KLEED)及数据平均方法(CMTA)对Si(111)3~(1/2)× 3~(1/2)R30°-Ag表面结构进行了研究,经过彻底的优化,我们得到了和实验最相符合的模型。该表面最上层由Ag原子组成,它们排成“链式的蜂窝状三聚体”(honeycomb-chained-trimer)结构,在它们以下0.79A处是每个表面原胞中有三个Si原子的Si层,接下来的是形变很大的体状的Si双层。我们的分析还表明该表面存在深弛豫,这是该表面一个尚未被报道的重要特征。
In this paper, the surface structure of Si (111) 3 ~ (1/2) × 3 ~ (1/2) R30 ° -Ag was studied by kinematic low energy electron diffraction (KLEED) and data averaging method (CMTA) Optimized, we got the model that best fits the experiment. The uppermost layer of the surface is composed of Ag atoms and they are arranged in a “honeycomb-chained-trimer” structure, at 0.79 A below them, Si having three Si atoms per surface cell Layer, followed by a heavily deformed body of Si bilayer. Our analysis also shows that there is deep relaxation on this surface, an important feature of this surface that has not yet been reported.