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

• Authors: A Gnidenko , V Zavodinsky , A Misiuk , J Bak-Misiuk
• Languages of publication: 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.

Keywords

EN

71.15.Mb; 71.55.Cn

Discipline

• 71.55.Cn: Elemental semiconductors
• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2006
• Volume: 109
• Issue: 3
• Pages: 353-357

Dates

published

2006-03

received

2005-05-20

Contributors

author

A Gnidenko

• Institute of Materials Science, FEB RAS, Tihookeanskaya, 680042 Khabarovsk, Russia

author

V Zavodinsky

• Institute of Materials Science, FEB RAS, Tihookeanskaya, 680042 Khabarovsk, Russia

author

A Misiuk

• Institute of Electron Technology, al. Lotników 32/46, 02-668 Warsaw, Poland

author

J Bak-Misiuk

• Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warsaw, Poland

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Identifiers

DOI

10.12693/APhysPolA.109.353