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2006 | 109 | 3 | 353-357
Article title

First-Principles Calculation of He-H Interaction in c-Si

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EN
Abstracts
EN
We used the density functional theory and ab initio pseudopotentials to investigate He-H interaction in crystalline silicon. It was shown that both hydrogen and helium stimulate the formation of vacancy complexes. The presence of hydrogen decreases the vacancy and divacancy formation energies by about 2 eV. The presence of one or two helium atoms reduces the divacancy formation energy by 0.3 and 0.4 eV, respectively. The influence of helium presence on hydrogen diffusion from silicon vacancies under high pressure depends on a helium concentration. Thus, according to our calculation, low concentrations of He increase the hydrogen out-diffusion.
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EN
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Year
Volume
109
Issue
3
Pages
353-357
Physical description
Dates
published
2006-03
received
2005-05-20
Contributors
author
  • Institute of Materials Science, FEB RAS, Tihookeanskaya, 680042 Khabarovsk, Russia
author
  • Institute of Materials Science, FEB RAS, Tihookeanskaya, 680042 Khabarovsk, Russia
author
  • Institute of Electron Technology, al. Lotników 32/46, 02-668 Warsaw, Poland
author
  • Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warsaw, Poland
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv109n315kz
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