Computer simulation of He-H interaction in crystalline silicon under high pressure

A. A. Gnidenko; V. G. Zavodinsky

doi:10.1117/12.634482

8 June 2005 Computer simulation of He-H interaction in crystalline silicon under high pressure

A. A. Gnidenko, V. G. Zavodinsky

Proceedings Volume 5851, Fundamental Problems of Optoelectronics and Microelectronics II; (2005) https://doi.org/10.1117/12.634482
Event: Fundamental Problems of Optoelectronics and Microelectronics II, 2004, Khabrovsk, Russian Federation

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.

Citation Download Citation

A. A. Gnidenko and V. G. Zavodinsky "Computer simulation of He-H interaction in crystalline silicon under high pressure", Proc. SPIE 5851, Fundamental Problems of Optoelectronics and Microelectronics II, (8 June 2005); https://doi.org/10.1117/12.634482

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available