氢在GaAs(110)表面吸附的研究

• 作 者: 蒋平 杨志宇 陈福浩
• 机 构: 复旦大学现代物理研究所,复旦大学现代物理研究所,复旦大学现代物理研究所
• 出 处: 半导体学报
• 发表日期: 1984年03期
• 关键词: 氢原子 表面吸附 悬键 原子态 禁带 表面态 键长 吸附分子 自洽 局域态密度

采用EHMO方法计算了氢在GaAs(110)表面的吸附,确定了氢原子在表面的吸附位置.计算结果表明,Ga与As都能吸附氢原子,最稳定的吸附位置在As的悬键位,其次为Ga的悬键位;氢与表面原子形成共价键,键长均约为1.32A|°.当氢原子吸附于As的悬键位时,禁带中出现由As原子及Ga原子引入的表面态.同时计算表明GaAs(110)表面不能吸附分子态的氢,与已知的实验结果相符.

The adsorption of hydrogen on the surface of GaAs (110) was calculated by EHMO method, and the position of hydrogen atoms adsorbed on the surface was determined. The calculated results show that Ga and As can both adsorb hydrogen atoms and the most stable adsorption sites are on the dangling sites of As, Followed by the dangling bond of Ga; Hydrogen covalent bond with the surface atoms, the bond length is about 1.32A | ° .When the hydrogen atoms are adsorbed on the dangling position of As, the introduction of As atoms and Ga atoms appear in the forbidden band The surface states of the GaAs (110) surface at the same time indicate that the molecular hydrogen can not be adsorbed on the surface of GaAs (110), which is consistent with the known experimental results.