| Project/Area Number |
03640291
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| Research Category |
Grant-in-Aid for General Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Research Field |
固体物性
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| Research Institution | TOHOKU UNIVERSITY |
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Principal Investigator |
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| Project Period (FY) |
1991 – 1992
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| Project Status |
Completed (Fiscal Year 1992)
|
| Budget Amount *help |
¥1,300,000 (Direct Cost: ¥1,300,000)
Fiscal Year 1992: ¥300,000 (Direct Cost: ¥300,000)
Fiscal Year 1991: ¥1,000,000 (Direct Cost: ¥1,000,000)
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| Keywords | Amorphous Silicon / Deep Levels / Hydrogen Impurity / 第一原理分子動力学 / 不活性化機構 |
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| Research Abstract |
We have studied the role of hydrogen and passivation mechanisms of deep impurity levels in amorphous silicon by hydrogen using ab-initio molecular dynamics.
We found
(1)deep levels of silicon dangling in the mid-band gap is terminated by hydrogen,
(2)Si-H-Si three centered bonds are formed and soften the amorphous structure,
(3)three coordinated silicon dangling bond which act as deep impurity levels exits in amorphous silicon,and
(4)five coordinated silicon bonds(floating)exit in amorphous silicon.
Based upon the calculated results,we have discussed the mechanism of the hydrogen passivation and the roles in amorphous silicon.
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