Si衬底上异质外延金刚石的初始阶段原子H的作用及其界面结构

用高分辨率电子能量损失谱方法研究了原子H与被C₂H₂吸附的Si(100)界面的相互作用.结果显示，在Si(100)界面上，Si—Si二聚化键和C₂H₂中的C—C键被H原子打开，它们分别形成Si—H，C—H键.用AM1量子化学方法，计算了C₂H₂和C₂H₄在Si(100)上的吸附结构，指出了C₂H_{2关键词：}

THE EFFECT OF ATOMIC OF HYDROGEN IN THE INITIAL PROCEDURE OF DIAMOND HETEROEPITAXY ON Si AND THE INTERFACE BETWEEN DIAMOND AND Si

The effect of atomic hydrogen on C₂H₂-covered Si surface was studied by high resolution electron loss spectroscope and low energy electron diffraction, the findings was that atomic hydrogen broke up C—C bond in C₂H₂ and the Si—Si dimer to form C—H，Si—H respectively. According to experimental phenomena, several cluster models were devised for quantum chemistry calculation. The calculation results agreed to experiment well and the discussions on the reaction sites of C₂H₂ adsorbed on Si(100) surface and the role of atomic hydrogen and nucleation mechanisn of diamond hetereopitaxy on Si were performed.