- Tytuł:
- First-Principles Calculation of He-H Interaction in c-Si
- Autorzy:
-
Gnidenko, A. A.
Zavodinsky, V. G.
Misiuk, A.
Bak-Misiuk, J. - Powiązania:
- https://bibliotekanauki.pl/articles/2044684.pdf
- Data publikacji:
- 2006-03
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
71.15.Mb
71.55.Cn - Opis:
- 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.
- Źródło:
-
Acta Physica Polonica A; 2006, 109, 3; 353-357
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł