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Proceedings Paper

Computer simulation of He-H interaction in crystalline silicon under high pressure
Author(s): A. A. Gnidenko; V. G. Zavodinsky
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Paper Abstract

Implantation of high energy He and H ions into Si creates strongly disturbed buried areas in Si:H,He. He- and H-filled bubbles are produced. Formation of microcavities in H, He-implanted Si is a one of creation methods of porous silicon which is perspective material ofoptoelectronics. Annealing at high temperature causes the He to diffuse out. Besides. He atoms at HT-HP treatment of Si:H,He influence strongly on hydrogen out-diffusion. To explain experimental facts we used the density functional theory and ab initio pseudopotentials. Calculations show that single helium atoms accumulate in divacancies at absence of external pressure. Helium stimulates formation of voids in silicon and simultaneously fills them. Leaving silicon interstitial sites for divacancies, H2 molecules dissociate up and passivate silicon dangling bonds with the energy profit of 1.6 eV. Presence of two He atoms per divacancy reduces this profit by 0.1 eV. The 5 GPa pressure decreases this energy additionally by 0.4 eV and makes hydrogen in silicon less bonded and more mobile in accordance with experimental data.

Paper Details

Date Published: 8 June 2005
PDF: 4 pages
Proc. SPIE 5851, Fundamental Problems of Optoelectronics and Microelectronics II, (8 June 2005); doi: 10.1117/12.634482
Show Author Affiliations
A. A. Gnidenko, Institute for Materials Science (Russia)
V. G. Zavodinsky, Institute for Materials Science (Russia)


Published in SPIE Proceedings Vol. 5851:
Fundamental Problems of Optoelectronics and Microelectronics II
Yuri N. Kulchin; Oleg B. Vitrik; Vladimir I. Stroganov, Editor(s)

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