INDUCED DEFECTS IN a-Si:H AND a-Ge:H CALCULATED BY MOLECULAR ORBITAL THEORY

机译：分子轨道理论计算的a-Si：H和a-Ge：H中的诱发缺陷

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Gap states induced by weak bond and hydrogen movement in a-Si:H have been investigated on the basis of DV-Xα molecular orbital theory. Two energy levels appear near both sides of band edge, and shift to the gap center, while the weak bond is stretched and the bonded H atom is moved to the neighboring Si or Ge atoms. These additional states deep in the energy gap are due to the modification of bonding states, decreasing the electrical conductivity of a-Si:H. These facts give a possible explanation of light-induced degradation, when the weak bond and the movement of bonded H atoms are induced by prolonged exposure to intense light.

机译：基于DV-Xα分子轨道理论研究了a-Si：H中弱键和氢移动引起的能隙态。两个能级出现在能带边缘的两侧附近，并移至能隙中心，而弱键被拉伸，键合的H原子移至相邻的Si或Ge原子。能隙深处的这些附加态是由于键合态的改变而导致的，从而降低了a-Si：H的电导率。当长时间暴露在强光下导致弱键和键合的H原子运动时，这些事实可能为光诱导的降解提供了解释。

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《IEEE world conference on photovoltaic energy conversion;WCPEC;IEEE photovoltaic specialists conference;PVSC》|1994年|524-527|共4页
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Akira Yoshida; Yuji Matsuda; Koichi Nakanose; Hiroshi Ogawa;
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中图分类物理化学（理论化学）、化学物理学;能源;
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INDUCED DEFECTS IN a-Si:H AND a-Ge:H CALCULATED BY MOLECULAR ORBITAL THEORY

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