Electronic Structures and Etching Processes of Chlorinated Si(111) Surfaces
Electronic Structures and Etching Processes of Chlorinated Si(111) Surfaces
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氯化Si(111)表面的电子结构和刻蚀工艺
DOI：
10.1143/jjap.41.2171
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发表时间：
2002
影响因子：
1.5
通讯作者：
T. Nakayama
中科院分区：
文献类型：
--
作者：
S. Sakurai;T. Nakayama
用第一性原理计算研究了氯化硅（111）表面的电子结构和刻蚀过程。结果表明，表面上的一氯离子与Cl原子碰撞，以SiCl2单元的形式蒸发，容易生成二氯离子，而三氯离子以SiCl2单元的形式蒸发，留下一个Cl原子作为一氯离子。这两个过程的活化能分别小于3.6 eV和1.5 eV，均小于SiCl和SiCl3的简单解吸活化能。这些结果表明，虽然氯化硅（111）表现出SiCl、SiCl2和SiCl3等多种吸附形式，但解吸单元始终是SiCl2，这很好地解释了观察结果。
Electronic structures and etching processes of chlorinated Si(111) surfaces are investigated using the first-principles calculation. It is shown that the monochloride on the surface easily produces a dichloride by colliding with Cl and evaporating as a SiCl2 unit, while the trichloride evaporates from the surface as a SiCl2 unit leaving one Cl atom as a monochloride. The activation energies of these processes are less than 3.6 and 1.5 eV, respectively, which values are smaller than those of the simple desorption of SiCl and SiCl3. These results indicate that although the chlorinated Si(111) shows a variety of adsorbed forms such as SiCl, SiCl2, and SiCl3, the desorption unit is always SiCl2, which well explains the observations.