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用高分辨率电子能量损失谱方法研究了原子 Ｈ 与被 Ｃ２ Ｈ２ 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 Ｃ２ Ｈ２ 中的 Ｃ— Ｃ 键被 Ｈ 原子打开，它们分别形成 Ｓｉ— Ｈ， Ｃ— Ｈ 键．用 Ａ Ｍ１ 量子化学方法，计算了 Ｃ２ Ｈ２ 和 Ｃ２ Ｈ４ 在 Ｓｉ（１００） 上的吸附结构，指出了 Ｃ２ Ｈ２ 在 Ｓｉ（１００） 上的吸附位置，进一步讨论了金刚石在 Ｓｉ 异质外延初始阶段的形核机制．计算结果显示：在原子 Ｈ 的作用下，可以显著地降低反应的活化能，有利于 Ｃ Ｈ３ 的产生和 Ｃ Ｈ３ 向 Ｓｉ 衬底的键连．计算结果与实验相符合．
The interaction between atom H and the Si (100) interface adsorbed by C2 H2 was studied by high resolution electron energy loss spectroscopy. The results show that the Si-Si dimerization bonds and the C-C bonds in C2H2 are opened by H atoms at the interface of Si (100), which form Si-H and C- H bonds, respectively. The adsorption structure of C2H2 and C2H4 on Si (100) was calculated by A M1 quantum chemistry method. The adsorption site of C2H2 on Si (100) was pointed out. The adsorption of diamond on the initial phase of Si heteroepitaxy Nucleation mechanism. The calculated results show that under the action of atomic H, the activation energy of the reaction can be significantly reduced, which is favorable for the production of C H3 and the bonding of C H3 to the Si substrate. The calculation results are consistent with the experiment.