High-temperature configurations of dimers in Si (001) surface layers

• Published in: Semiconductor Physics Quantum Electronics & Optoelectronics
• Date: 2003
• Main Authors: Kiv, A.E., Maksymova, T.I., Moiseenko, N.V., Soloviev, V.N.
• Format: Article
• Language: English
• Published: Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України 2003
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/117867
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: High-temperature configurations of dimers in Si (001) surface layers / A.E. Kiv, T.I. Maksymova, N.V. Moiseenko, V.N. Soloviev // Semiconductor Physics Quantum Electronics & Optoelectronics. — 2003. — Т. 6, № 1. — С. 14-18. — Бібліогр.: 13 назв. — англ.

Molecular Dynamics (MD) simulation of Si (001) surface layers was performed. In the modified algorithm of MD the potential is corrected on each step of calculation. The corrections account the re-hybridization of chemical bonds in relaxation processes. It was found that the high-temperature relaxati...