F atom adsorption on the fluorinated Si(001) surface

被引：0
|
作者：
Ezaki, Takahide [1 ]
Ohno, Takahisa [1 ,2 ]
机构：
[1] Science University of Tokyo, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601, Japan
[2] National Research Institute for Metals, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan
来源：
Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers | 2001年 / 40卷 / 4 A期
关键词：
Adsorption - Charge transfer - Computer simulation - Etching - Fluorine - Monolayers - Probability density function - Semiconducting silicon;
D O I：
10.1143/jjap.40.2115
中图分类号：
学科分类号：
摘要：
First-principles pseudopotential total-energy calculations have been performed to investigate the adsorption of a F atom on the F-terminated Si(001)-2 × 1 surface. We have determined several stable sites for the adsorbed F atom where energy differences and energy barriers between these adsorption sites are relatively small. It is shown that the incoming F atom can be adsorbed on the fully fluorinated Si(001) surface and break the substrate Si-Si bonds, which is contrary to the results of previous empirical potential simulation.
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页码：2115 / 2118
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