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Si1-xGex合金半导体中CiCs和CiOi缺陷随Ge含量的变化

杨福华 谭 劲 周成冈 罗红波

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Si1-xGex合金半导体中CiCs和CiOi缺陷随Ge含量的变化

杨福华, 谭 劲, 周成冈, 罗红波

Ab initio studies of CiCs and CiOi defects in Si1-xGex alloys

Yang Fu-Hua, Tan Jin, Zhou Cheng-Gang, Luo Hong-Bo
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  • 采用从头计算(ab initio)的方法对Si和Si1-xGex合金半导体材料中CiCs缺陷的性质进行探讨,同时也对比调查了CiOi缺陷在Si和Si1-xGex合金中的性质. 在不同Ge含量的Si1-xGex
    Ab initio total-energy calculations were used to investigate the behaviors of CiCs and CiOi defects in Si and Si1-xGex alloys. It was found that in Si1-xGex alloys with different Ge contents, both CiCs and CiOi defects have good stability, and direct Ge—C or Ge—O bonds are unlikely to be formed. The A and B type structures of CiCs defects have similar characters in the alloys. The formation energy of A type configuration decreases with increasing Ge content. But the formation energy of B type decreases at first and then increases with the Ge content. The energy differences of A and B type configuration defects are between 0235 and 0220eV with lower Ge contents, and decrease sharply to around 01eV for higher Ge contents. The formation energy of CiOi pair displays a complex feature. Under isothermal annealing at 1000K and above, the structure of A type CiCs defect in pure Si was destroyed and transformed to B type defect. During annealing, the behavior of A type CiCs defect in Si1-xGex alloys depended on the annealing temperature, Ge content in the alloy, and the sites of Ge atoms.
    • 基金项目: 教育部留学回国人员科研启动基金(批准号:[2005]546)和国家自然科学基金(批准号:40643018)资助的课题.
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  • 文章访问数:  6867
  • PDF下载量:  798
  • 被引次数: 0
出版历程
  • 收稿日期:  2007-06-01
  • 修回日期:  2007-07-10
  • 刊出日期:  2008-01-05

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